%mem=800MB
%rwf=a,1900MB,b,1900MB,c,1900MB,d,1900MB,e,1900MB
%chk=hbdimerg305test
# mp2(full)/6-31g* opt(z-matrix,maxcyc=100) scf(direct)

h2o dimer mp2(full)/631g* = -152.4102729

0 1
o1
o2 o1 ro2
h1 o1 rh1 o2 ah1
h2 o1 rh2 h1 ah2 o2 th2
h3 o2 rh3 o1 ah3 h1 th3
h4 o2 rh4 o1 ah4 h1 th4

ro2=2.91290214
 rh1=0.96749977
 ah1=112.69369153
 rh2=0.97503861
 ah2=104.20259982
 th2=0.01329262
 rh3=0.97060666
 ah3=97.6900632
 th3=127.27510116
 rh4=0.97060643
 ah4=97.70367754
 th4=-127.13866712

--link1--
%mem=800MB
%rwf=a,1900MB,b,1900MB,c,1900MB,d,1900MB,e,1900MB
%chk=hbdimerg305test
# mp2(full)/6-31g* opt(z-matrix,maxcyc=100) scf(direct)

methanol dimer mp2/631g* = -230.7195565

0 1
o1
o2 o1 ro2
c1 o1 rc1 o2 ac1
c2 o2 rc2 o1 ac2 c1 tc2
h1 o1 rh1 c1 ah1 o2 th1
h2 o2 rh2 c2 ah2 o1 th2
h3 c1 rh3 o1 ah3 h1 th3
h4 c1 rh4 o1 ah4 h3 th4
h5 c1 rh5 o1 ah5 h3 th5
h6 c2 rh6 o2 ah6 h1 th6
h7 c2 rh7 o2 ah7 h6 th7
h8 c2 rh8 o2 ah8 h6 th8

ro2=2.8480408
 rc1=1.41805069
 ac1=113.60679606
 rc2=1.43433789
 ac2=91.21325358
 tc2=-93.01228862
 rh1=0.97721451
 ah1=107.2938081
 th1=11.72498596
 rh2=0.97190576
 ah2=107.49963502
 th2=101.99500065
 rh3=1.09086615
 ah3=107.03676551
 th3=178.67711262
 rh4=1.09764098
 ah4=112.40671866
 th4=118.75878541
 rh5=1.09834115
 ah5=112.47824975
 th5=-118.72802221
 rh6=1.09407971
 ah6=111.29360783
 th6=196.63907435
 rh7=1.09345415
 ah7=111.5721988
 th7=123.32219252
 rh8=1.08895252
 ah8=106.02967512
 th8=-118.25833779

--link1--
%mem=800MB
%rwf=a,1900MB,b,1900MB,c,1900MB,d,1900MB,e,1900MB
%chk=hbdimerg305test
# mp2(full)/6-31g* opt(z-matrix,maxcyc=100) scf(direct)

acetone dimer c2 symmetry mp2(full)/6-31g* = -385.0901009

0 1
C,0,-0.000161868,0.002288944,-2.3918311785
 C,0,0.0005568798,0.0022260617,2.3918311785
 O,0,1.0537628289,-0.0834566477,-1.7650948857
 O,0,-1.0522458985,0.1007952412,1.7650948857
 C,0,-1.3454316637,0.0035711218,-1.7105598172
 C,0,1.3256116523,-0.2301148881,1.7105598172
 C,0,-0.0034436442,0.1070178341,-3.9000911053
 C,0,0.0219747794,0.1047940101,3.9000911053
 H,0,-1.2275399264,0.0093191151,-0.626650998
 H,0,1.210509084,-0.2039825345,0.626650998
 H,0,-1.9286103579,0.873970766,-2.0280224305
 H,0,2.0510738638,0.5257935122,2.0280224305
 H,0,-1.910033945,-0.8843978825,-2.015278442
 H,0,1.7274421569,-1.2026358053,2.015278442
 H,0,1.0183237844,0.0415946737,-4.2740695296
 H,0,-0.9956303186,0.2177928266,4.2740695296
 H,0,-0.6119410984,-0.6909064414,-4.3367488661
 H,0,0.4826696936,-0.7866724766,4.3367488661
 H,0,-0.4483346912,1.0583239082,-4.2088798148
 H,0,0.6252994979,0.9643930879,4.2088798148

--link1--
%mem=800MB
%rwf=a,1900MB,b,1900MB,c,1900MB,d,1900MB,e,1900MB
%chk=hbdimerg305test
# mp2(full)/6-31g* opt(z-matrix,maxcyc=100) scf(direct)

hcl dimer mp2(full)/6-31g* = -920.4074089

0 1
Cl,0,-0.4177422018,0.000128013,-1.9531158219
 H,0,-0.2799449094,0.0005097004,-0.6783028835
 Cl,0,0.3389323925,-0.0000396697,1.881178219
 H,0,1.6197116679,-0.0020115363,1.9012421342

--link1--
%mem=800MB
%rwf=a,1900MB,b,1900MB,c,1900MB,d,1900MB,e,1900MB
%chk=hbdimerg305test
# mp2(full)/6-31g* opt(z-matrix,maxcyc=100) scf(direct)

acetic acid dimer mp2(full)/6-31g* = -456.8984318

0 1
c1
o1 c1 ro1
c2 c1 rc2 o1 ac2
o2 c1 ro2 o1 ao2 c2 to2
h1 o2 rh1 c1 ah1 o1 th1
h2 c2 rh2 c1 ah2 o1 th2
h3 c2 rh3 c1 ah3 h2 th3
h4 c2 rh4 c1 ah4 h2 th4
c3 c1 rc3 o1 ac3 o2 tc3
o3 c3 ro3 c1 ao3 o1 to3
c4 c3 rc4 o3 ac4 c1 tc4
o4 c3 ro4 o3 ao4 c4 to4
h5 o4 rh5 c3 ah5 o3 th5
h6 c4 rh6 c3 ah6 o3 th6
h7 c4 rh7 c3 ah7 h6 th7
h8 c4 rh8 c3 ah8 h6 th8

ro1=1.23263264
 rc2=1.49945135
 ac2=123.32531476
 ro2=1.33002114
 ao2=124.30124313
 to2=179.99887201
 rh1=0.99963157
 ah1=109.09904273
 th1=-0.00156216
 rh2=1.08823531
 ah2=109.66374968
 th2=-0.01308916
 rh3=1.09211819
 ah3=109.4957337
 th3=121.13822405
 rh4=1.09211564
 ah4=109.4973761
 th4=-121.14061916
 rc3=3.92245574
 ac3=57.58989706
 tc3=0.00283828
 ro3=1.23263265
 ao3=57.58990356
 to3=180.00944775
 rc4=1.49945135
 ac4=123.32531345
 tc4=179.9948224
 ro4=1.33002114
 ao4=124.30124468
 to4=180.00089884
 rh5=0.99963157
 ah5=109.09904302
 th5=0.00085129
 rh6=1.08823531
 ah6=109.66374974
 th6=0.00883482
 rh7=1.09211606
 ah7=109.49715155
 th7=121.14028314
 rh8=1.09211777
 ah8=109.49595837
 th8=-121.1385594

--link1--
%mem=800MB
%rwf=a,1900MB,b,1900MB,c,1900MB,d,1900MB,e,1900MB
%chk=hbdimerg305test
# mp2(full)/6-31g* opt(z-matrix,maxcyc=100) scf(direct)

hf dimer mp2(full)/6-31g* = -200.3811527

0 1
F,0,-0.0685284131,-0.0003118518,-1.2723254941
 H,0,-0.6850021214,0.0009701881,-0.562602409
 F,0,0.0577131321,0.0003044146,1.261237619
 H,0,0.7823396505,-0.0009032536,0.6623932849


