%chk=000274342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274342

0 1
S 0.014684 0.059390 1.166457
O -0.100678 1.317145 1.846975
O 0.142323 -1.143784 1.937406
O -1.477952 1.508764 -2.034323
O 1.454198 -1.627098 -1.941038
C -0.786987 -0.085659 -0.385752
C 0.790007 0.087141 -0.405512
C -1.384922 -1.387922 -0.795781
C 1.380083 1.354591 -0.922187
C -1.659175 1.020082 -0.949267
C 1.653344 -1.058285 -0.899032
C -1.286833 -1.805398 -2.133249
C 1.259391 1.670297 -2.285453
C -2.090709 -2.173401 0.129237
C 2.100540 2.207102 -0.070763
C -2.813893 1.390027 -0.067896
C 2.823038 -1.361530 -0.011930
C -1.883604 -3.001241 -2.538355
C 1.848319 2.832032 -2.789249
C -2.686744 -3.367914 -0.284694
C 2.688615 3.366826 -0.583263
C -2.671482 2.379297 0.911843
C 2.697985 -2.274591 1.041409
C -4.049247 0.759734 -0.269038
C 4.054236 -0.748436 -0.280379
C -2.586448 -3.783156 -1.616156
C 2.565791 3.680788 -1.940320
C -3.773072 2.737074 1.695291
C 3.812847 -2.572976 1.830906
C -5.145036 1.120518 0.519191
C 5.163409 -1.049480 0.514207
C -5.007534 2.109932 1.499304
C 5.043274 -1.962648 1.567831
H -0.719711 -1.200646 -2.846737
H 0.680993 1.013809 -2.941877
H -2.171077 -1.875379 1.174413
H 2.198525 1.988483 0.992383
H -1.794867 -3.325037 -3.574827
H 1.742009 3.077030 -3.845497
H -3.227996 -3.978263 0.436989
H 3.241323 4.029494 0.081340
H -1.702406 2.860632 1.078155
H 1.732286 -2.741869 1.259465
H -4.153972 -0.007673 -1.037126
H 4.145372 -0.040758 -1.105446
H -3.050498 -4.715502 -1.933235
H 3.023704 4.586450 -2.334324
H -3.664694 3.505471 2.459987
H 3.718026 -3.281849 2.652766
H -6.106917 0.633402 0.367044
H 6.122127 -0.575383 0.309900
H -5.864192 2.392067 2.110553
H 5.910297 -2.198500 2.184054


%chk=000274342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274342

0 1
S 0.029444 0.109689 1.427131
O -0.254160 1.547696 2.187330
O 0.265963 -1.245832 2.339230
O -1.363937 1.652120 -1.970443
O 1.324347 -1.718027 -1.902796
C -0.780521 -0.114814 -0.462853
C 0.801243 0.157270 -0.518818
C -1.352898 -1.465454 -0.774952
C 1.372490 1.469232 -0.947881
C -1.673347 1.041795 -0.901265
C 1.665098 -1.046127 -0.881163
C -2.402025 -1.560308 -1.738023
C 2.437719 1.476454 -1.900055
C -0.910475 -2.662001 -0.137011
C 0.920863 2.721121 -0.430582
C -2.885684 1.393476 -0.109789
C 2.876515 -1.378304 -0.081129
C -2.979543 -2.804630 -2.056968
C 3.016355 2.686315 -2.328409
C -1.505262 -3.899207 -0.449056
C 1.518386 3.924023 -0.849992
C -3.318090 0.645093 1.019270
C 3.350298 -0.563132 0.983350
C -3.639762 2.527892 -0.523679
C 3.586063 -2.565758 -0.418558
C -2.537939 -3.981409 -1.411232
C 2.562917 3.917613 -1.803285
C -4.481840 1.024678 1.716919
C 4.512116 -0.928766 1.691696
C -4.796846 2.909115 0.179868
C 4.740767 -2.932430 0.296295
C -5.221175 2.157312 1.303376
C 5.207294 -2.113449 1.354269
H -2.743145 -0.665840 -2.268361
H 2.788856 0.537014 -2.337815
H -0.134207 -2.624916 0.633266
H 0.137083 2.755228 0.331782
H -3.771072 -2.854973 -2.812401
H 3.818012 2.667626 -3.074459
H -1.158822 -4.803397 0.062981
H 1.164963 4.871674 -0.429766
H -2.765427 -0.239738 1.349502
H 2.829469 0.360246 1.254440
H -3.292703 3.091215 -1.396263
H 3.206715 -3.181030 -1.241214
H -2.990946 -4.948675 -1.655080
H 3.016776 4.858911 -2.132270
H -4.808378 0.443692 2.585490
H 4.871081 -0.296369 2.510094
H -5.368144 3.787145 -0.139949
H 5.277464 -3.851141 0.036639
H -6.121010 2.454624 1.853470
H 6.105163 -2.399339 1.913522


