%chk=000275697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275697

0 1
S -1.571679 2.792704 1.919300
S 0.712659 2.826944 -0.186604
O -1.478368 2.455545 3.333812
O -2.354238 3.942982 1.527084
O -0.447531 2.680391 -1.052255
O 1.688744 3.862915 -0.465090
C -3.371008 -2.226511 -0.978325
C 3.645429 -2.487794 0.132464
C -2.943773 -0.935284 -0.270521
C 2.882775 -1.159302 0.068351
C 0.121541 3.106847 1.447388
C -2.070290 1.387053 1.069944
C 1.529473 1.309546 -0.082158
C -4.137285 -1.949894 -2.283451
C -4.283843 -3.044038 -0.044437
C -2.090215 -3.021746 -1.303769
C 4.645536 -2.470819 1.304086
C 4.396872 -2.643224 -1.203392
C 2.694943 -3.682499 0.331323
C -3.021317 0.317066 -0.889016
C 3.565317 0.050983 0.295265
C -2.426679 -1.010412 1.041175
C 1.519547 -1.108162 -0.261726
C -2.597571 1.473773 -0.221594
C 2.896431 1.271007 0.216961
C -2.006743 0.136897 1.704371
C 0.851200 0.115913 -0.339940
H 0.317367 4.182571 1.693870
H 0.773566 2.602489 2.193472
H -4.451076 -2.884502 -2.762106
H -5.043863 -1.361125 -2.101960
H -3.525059 -1.407985 -3.012971
H -5.156774 -2.459452 0.268782
H -4.655581 -3.945859 -0.542855
H -3.764512 -3.368534 0.863247
H -2.330001 -3.958586 -1.818771
H -1.422860 -2.450228 -1.958187
H -1.530643 -3.280818 -0.399652
H 5.156946 -3.435165 1.401190
H 5.423498 -1.710767 1.172615
H 4.142878 -2.269674 2.256504
H 5.102473 -1.821874 -1.370669
H 4.969989 -3.576269 -1.229944
H 3.706579 -2.657560 -2.054258
H 3.256203 -4.620467 0.415619
H 2.102097 -3.576523 1.246380
H 2.002637 -3.802196 -0.508947
H -3.409861 0.419152 -1.902248
H 4.630755 0.039019 0.526672
H -2.368472 -1.973907 1.545401
H 0.966345 -2.023752 -0.470136
H -2.666189 2.447472 -0.730657
H 3.448761 2.204180 0.377045
H -1.631038 0.067291 2.732412
H -0.211794 0.133086 -0.613993


%chk=000275697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275697

0 1
S -1.703684 3.005596 1.918644
S 0.899014 3.105841 -0.218619
O -1.685946 2.715720 3.533872
O -2.575060 4.213850 1.263400
O -0.325796 3.073399 -1.295787
O 2.118776 4.196188 -0.306669
C -3.364523 -2.361949 -0.788933
C 3.611461 -2.519777 -0.061137
C -2.948613 -1.015968 -0.150900
C 2.906587 -1.144175 -0.102345
C 0.182145 3.391709 1.570459
C -2.157411 1.389305 1.059904
C 1.687353 1.387612 -0.149160
C -3.950011 -2.188476 -2.213610
C -4.445404 -3.043457 0.104500
C -2.113297 -3.288568 -0.883207
C 4.106587 -2.797464 1.391168
C 4.833693 -2.497887 -1.029193
C 2.673189 -3.678619 -0.486095
C -3.085377 0.224225 -0.830301
C 3.630645 0.026989 0.263529
C -2.415746 -1.001013 1.170358
C 1.554756 -0.991315 -0.507183
C -2.693991 1.444944 -0.233264
C 3.034098 1.303801 0.242896
C -2.020143 0.199675 1.793559
C 0.929928 0.276559 -0.539644
H 0.273971 4.476327 1.738710
H 0.756920 2.766333 2.268510
H -4.225940 -3.178219 -2.620027
H -4.862470 -1.564473 -2.210136
H -3.219259 -1.735751 -2.909034
H -5.345297 -2.407595 0.187407
H -4.745081 -4.011370 -0.338204
H -4.074524 -3.240465 1.126097
H -2.397981 -4.267829 -1.310537
H -1.341627 -2.840757 -1.537435
H -1.661751 -3.470337 0.108859
H 4.623162 -3.774131 1.433490
H 4.816204 -2.025754 1.738758
H 3.259008 -2.824113 2.100210
H 5.564256 -1.717372 -0.751718
H 5.353956 -3.473090 -1.000988
H 4.511851 -2.306685 -2.069022
H 3.223791 -4.635100 -0.432693
H 1.794488 -3.763463 0.180288
H 2.315294 -3.558941 -1.525436
H -3.501097 0.254896 -1.840535
H 4.680508 -0.052646 0.564870
H -2.315648 -1.936626 1.730643
H 0.967377 -1.863571 -0.805449
H -2.800346 2.401111 -0.752445
H 3.597834 2.209048 0.492146
H -1.644601 0.221457 2.821801
H -0.103930 0.393266 -0.879270


