%chk=000187620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187620

0 1
S -0.323068 -0.157417 -1.785083
O -2.038124 2.943013 0.623369
O 0.545940 -1.300654 -2.025170
O -0.868102 0.534840 -2.944874
N 0.594419 1.021802 -0.901307
C -0.637073 2.516232 0.594926
C -0.051374 2.355814 -0.800172
C -1.020418 3.880707 1.097691
C 2.084664 1.064790 -1.012691
C 2.672412 0.059179 -0.030130
C -1.607115 -0.546085 -0.721085
C 2.584410 0.858344 -2.444964
C -1.445501 -1.366854 0.407489
C -2.876990 -0.011822 -1.011693
C 2.973558 0.490900 1.271594
C 2.928265 -1.270921 -0.389196
C -2.554584 -1.640029 1.229367
C -3.970396 -0.284937 -0.202867
C -3.811456 -1.104770 0.934184
C -0.123436 -1.949463 0.759698
C 3.537735 -0.393567 2.194644
C 3.497205 -2.152338 0.534311
C 3.805563 -1.715888 1.826289
C -4.987549 -1.386011 1.808409
H -0.411100 1.712439 1.305668
H 0.673140 3.177067 -1.004743
H -0.860963 2.489887 -1.564305
H -1.067034 4.088993 2.163792
H -0.904775 4.763861 0.474858
H 2.421885 2.092545 -0.687958
H 3.671555 0.983178 -2.503165
H 2.128429 1.568948 -3.144194
H 2.365035 -0.153354 -2.828436
H -3.004321 0.628400 -1.895707
H 2.767337 1.517616 1.567354
H 2.655801 -1.626664 -1.390774
H -2.427236 -2.274077 2.103748
H -4.944008 0.139377 -0.436560
H 0.370791 -2.426878 -0.112014
H 0.582497 -1.176323 1.113298
H -0.177116 -2.712751 1.545177
H 3.771856 -0.051277 3.200605
H 3.698319 -3.182187 0.243688
H 4.252010 -2.402112 2.542629
H -5.359452 -0.461256 2.276702
H -5.823342 -1.811954 1.233468
H -4.762894 -2.090142 2.620231


%chk=000187620-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187620

0 1
S -0.327884 -0.004477 -1.576596
O -2.169287 2.970137 0.055138
O 0.590204 -1.289992 -1.978381
O -1.011265 0.864923 -2.787101
N 0.760841 1.251547 -0.474745
C -0.681926 3.134324 0.295966
C 0.255842 2.631904 -0.785309
C -1.538368 4.340209 0.053131
C 2.252258 1.086310 -0.751589
C 2.839842 -0.091704 0.032685
C -1.728225 -0.524882 -0.411490
C 2.656545 1.161093 -2.243042
C -1.523545 -1.492880 0.600405
C -2.961898 0.093969 -0.675015
C 2.940354 0.025477 1.443931
C 3.317502 -1.272142 -0.585274
C -2.678031 -1.828371 1.357580
C -4.075568 -0.272489 0.104236
C -3.947614 -1.240956 1.132572
C -0.194453 -2.154251 0.898238
C 3.499914 -1.010538 2.223157
C 3.881754 -2.310193 0.189911
C 3.974559 -2.186117 1.595105
C -5.146095 -1.630887 1.978611
H -0.389097 2.888702 1.324850
H 1.126326 3.314863 -0.850175
H -0.259242 2.663234 -1.770461
H -1.819058 4.983777 0.895721
H -1.510463 4.827146 -0.930789
H 2.654804 1.996523 -0.255979
H 3.756857 1.192542 -2.336897
H 2.246115 2.074304 -2.710081
H 2.280197 0.292938 -2.807858
H -3.035758 0.843658 -1.467311
H 2.570959 0.936152 1.932161
H 3.231189 -1.393938 -1.668132
H -2.569215 -2.578648 2.150350
H -5.043925 0.203717 -0.085265
H 0.203206 -2.674368 0.010379
H 0.569009 -1.409864 1.187823
H -0.299721 -2.877685 1.723530
H 3.570511 -0.900718 3.311313
H 4.242789 -3.219263 -0.304156
H 4.413810 -2.992661 2.193159
H -5.488258 -0.779254 2.596646
H -6.000047 -1.936086 1.346283
H -4.911044 -2.466880 2.658869


