%chk=000289560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289560

0 1
S -0.948972 2.960176 -0.949004
S -0.567039 -2.636931 -0.214632
O -1.819879 2.213711 0.311487
O -0.852924 -0.958479 -0.380204
O -3.300643 0.335771 2.604259
O -5.070841 -0.704099 0.993326
O -4.820694 -0.568896 -1.148069
O -1.328980 4.345600 -0.952200
O -1.231557 2.138923 -2.106432
O -1.056361 -3.230433 -1.429084
O -1.147672 -2.975562 1.059063
N -4.419745 -0.447790 -0.006091
C -2.985679 0.093358 0.181990
C -3.097470 1.645068 0.057461
C -2.096035 -0.520885 -0.927336
C -2.480827 -0.259679 1.607856
C 0.634968 2.741916 -0.353074
C 1.138597 -2.590316 -0.146011
C 1.384048 3.850728 0.068562
C 1.890558 -2.670207 -1.327155
C 1.186105 1.456902 -0.270128
C 1.790096 -2.470347 1.088747
C 3.235089 2.387308 0.634984
C 3.939701 -2.498205 -0.037414
C 2.676592 3.677733 0.555749
C 3.281474 -2.622741 -1.275404
C 2.480256 1.278104 0.218755
C 3.182089 -2.420611 1.144804
C 4.618072 2.212504 1.164983
C 5.428467 -2.461961 0.011569
H -3.729628 2.039335 0.889084
H -3.501504 1.946385 -0.926649
H -1.799508 0.253116 -1.684160
H -2.600986 -1.339099 -1.483199
H -1.488685 0.217817 1.761811
H -2.415988 -1.355354 1.764160
H -4.165993 -0.148776 2.676282
H 0.950359 4.857530 0.014406
H 1.384705 -2.776312 -2.295137
H 0.598939 0.580192 -0.584661
H 1.205873 -2.421112 2.016394
H 3.254867 4.541394 0.880597
H 3.861283 -2.688115 -2.195799
H 2.898946 0.273919 0.279774
H 3.681318 -2.332885 2.109074
H 4.969561 1.173552 1.118817
H 5.344043 2.824059 0.607428
H 4.681311 2.527081 2.218906
H 5.851027 -3.459751 -0.194900
H 5.851341 -1.780008 -0.741317
H 5.822426 -2.149529 0.988335


%chk=000289560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289560

0 1
S -0.803468 2.882960 -1.102862
S -0.531433 -2.656225 0.473950
O -1.786807 2.113066 0.323088
O -0.837790 -0.829275 -0.053796
O -4.104810 0.365860 2.432891
O -5.368447 -0.991233 0.344669
O -4.785044 -0.080294 -1.658156
O -1.255513 4.418605 -1.329188
O -0.901448 1.847494 -2.351169
O -1.381233 -3.556734 -0.576908
O -0.763253 -2.805124 2.068454
N -4.548312 -0.360570 -0.425977
C -3.168104 0.089469 0.139562
C -3.125503 1.635777 -0.047575
C -2.109207 -0.637888 -0.753899
C -3.070217 -0.288284 1.636939
C 0.860681 2.831048 -0.251831
C 1.297986 -2.709379 0.095756
C 1.465880 4.062962 0.046610
C 1.697577 -2.899111 -1.237922
C 1.434235 1.581883 0.028783
C 2.191071 -2.569626 1.168983
C 3.376843 2.794483 0.955844
C 4.037044 -2.813128 -0.452900
C 2.738477 4.028049 0.653123
C 3.082327 -2.948902 -1.498956
C 2.709329 1.582199 0.637657
C 3.572728 -2.624815 0.875696
C 4.742135 2.782986 1.617506
C 5.520523 -2.892311 -0.757157
H -3.832179 2.113804 0.653696
H -3.380975 1.892251 -1.093279
H -1.869880 -0.024605 -1.641614
H -2.492247 -1.622723 -1.097185
H -2.108889 0.097330 2.008265
H -3.085320 -1.387619 1.766607
H -4.958555 -0.107956 2.249775
H 0.961839 5.005137 -0.190454
H 0.959984 -3.014074 -2.038257
H 0.904910 0.650076 -0.196941
H 1.821165 -2.439767 2.191084
H 3.240500 4.971447 0.896178
H 3.426170 -3.095063 -2.529055
H 3.184207 0.622770 0.872158
H 4.295883 -2.529277 1.693221
H 5.143398 1.759577 1.706510
H 5.470167 3.385823 1.044325
H 4.692942 3.215457 2.634478
H 5.812455 -3.926965 -1.019188
H 5.789773 -2.252954 -1.616990
H 6.132905 -2.582509 0.106056


