%chk=000228529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228529

0 1
S 3.679200 -0.684229 -0.717301
O 3.721827 -1.644107 0.360894
O 3.749544 -1.145030 -2.088012
O 4.206153 1.365277 1.391951
O 6.378914 0.826813 1.500845
C -1.513442 -0.375931 -0.269119
C -2.747070 0.516244 -0.076542
C -0.223311 0.454295 -0.309602
C -4.036930 -0.314448 -0.036255
C 1.007080 -0.444211 -0.501972
C -5.271779 0.576028 0.157144
C 2.298933 0.378105 -0.541771
C -6.560986 -0.255214 0.197378
C -7.797682 0.633642 0.391011
C 5.109406 0.395167 -0.535086
C -9.083561 -0.189042 0.431998
C 5.368267 0.836596 0.848894
H -1.615770 -0.961947 -1.203421
H -1.457724 -1.121579 0.548147
H -2.647814 1.100827 0.858424
H -2.805640 1.260927 -0.893701
H -0.281112 1.198646 -1.127112
H -0.123244 1.038450 0.625680
H -4.138060 -0.899409 -0.970912
H -3.979783 -1.060252 0.780159
H 1.054925 -1.189345 0.322546
H 0.895905 -1.027621 -1.441114
H -5.172006 1.160374 1.092119
H -5.330361 1.321205 -0.659477
H 2.368753 0.997891 0.383715
H 2.235661 1.121502 -1.361974
H -6.504590 -1.001274 1.013244
H -6.662934 -0.840379 -0.736751
H -7.857203 1.378963 -0.426124
H -7.698412 1.218036 1.326636
H 5.035164 1.270907 -1.215509
H 6.014280 -0.136969 -0.926623
H -9.074481 -0.911714 1.255883
H -9.960602 0.453293 0.568946
H -9.231868 -0.753070 -0.495902
H 4.317052 1.640685 2.342066


%chk=000228529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228529

0 1
S 3.824356 -0.725525 -0.743542
O 3.721352 -1.771933 0.503540
O 3.997250 -1.256292 -2.279275
O 4.511209 1.565459 1.497131
O 6.499374 0.376099 1.764124
C -1.544749 -0.321770 -0.333012
C -2.809643 0.547016 -0.152704
C -0.245670 0.511029 -0.430517
C -4.109596 -0.285431 -0.077439
C 1.010790 -0.389763 -0.557422
C -5.374818 0.572492 0.148784
C 2.274901 0.458106 -0.680606
C -6.674273 -0.261415 0.214191
C -7.938962 0.591779 0.463063
C 5.399853 0.469747 -0.428544
C -9.231624 -0.250416 0.526209
C 5.573405 0.767825 1.027970
H -1.650945 -0.941529 -1.247095
H -1.462708 -1.030276 0.516851
H -2.709855 1.153350 0.771971
H -2.885199 1.269051 -0.992569
H -0.311111 1.191498 -1.304112
H -0.152816 1.154680 0.468326
H -4.225233 -0.869720 -1.014172
H -4.021277 -1.028524 0.742631
H 1.090320 -1.044556 0.330990
H 0.908766 -1.045930 -1.443045
H -5.262394 1.148792 1.091204
H -5.461615 1.322496 -0.665355
H 2.475005 1.097314 0.194340
H 2.355279 1.015861 -1.628386
H -6.582791 -1.021085 1.018800
H -6.796221 -0.827054 -0.733361
H -8.030085 1.351681 -0.340048
H -7.817069 1.155255 1.410823
H 5.162675 1.354920 -1.036600
H 6.229886 -0.119942 -0.840044
H -9.179435 -0.995329 1.342690
H -10.120531 0.382789 0.703048
H -9.392102 -0.801723 -0.419634
H 4.620999 1.719075 2.474196


