%chk=000187619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187619

0 1
S -0.439916 1.339255 -0.547022
O 0.922134 -1.664112 -2.911483
O -1.080531 2.053729 0.549763
O -0.654801 1.814647 -1.901073
N -0.969765 -0.301214 -0.530577
C -0.240487 -2.037070 -2.099180
C -1.247649 -0.926598 -1.844664
C -0.060362 -2.582031 -3.488675
C -1.678333 -0.925037 0.624092
C -3.183356 -0.680894 0.580170
C -1.078910 -0.470513 1.956230
C 1.245157 1.216515 -0.217597
C 2.104262 0.606524 -1.138024
C 1.760261 1.745847 0.972265
C -4.037950 -1.765481 0.329784
C -3.728486 0.592713 0.785838
C 3.992474 1.056271 0.319666
C 3.472346 0.524404 -0.870646
C 3.125121 1.666707 1.243481
C 5.464573 0.967749 0.609503
C -5.421921 -1.575931 0.285276
C -5.112667 0.780155 0.738973
C -5.962027 -0.302114 0.488759
C 5.796401 -0.342421 1.344064
C 7.287069 -0.454066 1.648116
H 0.029076 -2.648030 -1.231390
H -1.192080 -0.162174 -2.666511
H -2.281289 -1.343385 -1.893561
H -0.613177 -2.169558 -4.329847
H 0.312045 -3.590981 -3.648056
H -1.493919 -2.035677 0.533328
H -1.262548 0.599208 2.159781
H 0.002956 -0.637727 1.995921
H -1.533222 -1.024383 2.786989
H 1.711664 0.185859 -2.075434
H 1.087876 2.229171 1.691394
H -3.629069 -2.761625 0.174401
H -3.068053 1.448992 0.981534
H 4.133470 0.044162 -1.590638
H 3.520068 2.079799 2.169463
H 5.798094 1.834573 1.216010
H 6.051860 1.031530 -0.329810
H -6.079562 -2.420981 0.092391
H -5.527670 1.774676 0.896844
H 5.213010 -0.400512 2.284530
H 5.469718 -1.206102 0.730734
H -7.039182 -0.153784 0.452517
H 7.635214 0.367484 2.284829
H 7.513969 -1.390679 2.171145
H 7.890914 -0.437488 0.733296


%chk=000187619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187619

0 1
S -0.399574 1.362838 -0.693137
O 0.659007 -1.853967 -3.025019
O -1.084875 2.315838 0.452034
O -0.532375 1.804879 -2.261011
N -0.919763 -0.510055 -0.644212
C -0.727636 -2.122578 -2.482408
C -1.485025 -0.914990 -1.955966
C -0.457426 -2.277785 -3.949536
C -1.648203 -1.005097 0.576709
C -3.167832 -0.774332 0.603693
C -0.946490 -0.564850 1.880570
C 1.424629 1.206572 -0.257117
C 2.238677 0.392240 -1.062786
C 1.898844 1.959215 0.827517
C -4.037433 -1.894232 0.564894
C -3.731045 0.526963 0.682874
C 4.151292 1.075513 0.346808
C 3.612471 0.337003 -0.741826
C 3.278438 1.883058 1.121965
C 5.625020 0.964830 0.701541
C -5.440954 -1.728324 0.612104
C -5.132851 0.693326 0.725141
C -5.993094 -0.430052 0.691628
C 5.917805 -0.234134 1.649537
C 7.413652 -0.344459 2.010927
H -0.762488 -3.029469 -1.863212
H -1.362175 -0.072334 -2.666199
H -2.568857 -1.143680 -1.886041
H -0.799707 -1.494726 -4.638016
H -0.343674 -3.280182 -4.379559
H -1.492743 -2.104117 0.491611
H -1.091873 0.509151 2.080049
H 0.135901 -0.777045 1.822737
H -1.370849 -1.130233 2.728160
H 1.822433 -0.185623 -1.895545
H 1.211496 2.582721 1.408258
H -3.614261 -2.906185 0.506277
H -3.072590 1.403962 0.707347
H 4.275368 -0.288925 -1.350777
H 3.681251 2.464412 1.959638
H 5.970215 1.895292 1.192881
H 6.230563 0.842534 -0.217780
H -6.097462 -2.605490 0.584253
H -5.554624 1.703121 0.784316
H 5.313567 -0.121291 2.571185
H 5.575692 -1.169827 1.165267
H -7.080009 -0.294138 0.725691
H 7.769395 0.571210 2.519908
H 7.599547 -1.199639 2.685807
H 8.033424 -0.487514 1.105717


