%chk=000225642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225642

0 1
S 0.560560 0.585222 -0.085415
O -1.830893 -1.123092 1.104150
O -3.450276 1.243535 -2.533772
N -2.972340 0.112529 -0.532845
C 2.114247 0.101555 -0.902443
C -0.675422 -0.427289 -0.942490
C 3.150383 1.058335 -0.358437
C 2.586849 -1.245130 -0.412111
C 4.133998 0.336222 0.388359
C 3.784525 -1.092145 0.355145
C -1.237075 0.274107 -2.174565
C -1.831807 -0.552806 0.048502
C -2.675679 0.637168 -1.841990
C 3.235939 2.431765 -0.503394
C 2.037242 -2.498107 -0.619569
C 5.192741 1.002498 0.985343
C 4.410954 -2.196046 0.912589
C -4.252977 0.253076 0.127911
C 4.314959 3.100849 0.106884
C 2.678457 -3.614897 -0.049798
C 5.273475 2.399956 0.837118
C 3.842824 -3.466357 0.702324
C -5.103827 1.317013 -0.220070
C -4.636789 -0.675870 1.110873
C -6.338566 1.440845 0.419543
C -5.873874 -0.530146 1.741705
C -6.727877 0.522868 1.399942
H 2.022515 0.150223 -2.008357
H -0.262879 -1.440554 -1.175010
H -1.206586 -0.365365 -3.079727
H -0.676433 1.193305 -2.452499
H 2.491457 2.991230 -1.066441
H 1.124057 -2.628148 -1.198068
H 5.944781 0.464145 1.557133
H 5.319229 -2.088731 1.501034
H 4.394431 4.182576 0.004794
H 2.252015 -4.606194 -0.199398
H 6.099219 2.936944 1.303012
H 4.322663 -4.342495 1.137183
H -4.817027 2.035696 -0.991060
H -3.975130 -1.496456 1.397137
H -7.001272 2.262786 0.149101
H -6.171624 -1.246470 2.507308
H -7.690670 0.628048 1.895068


%chk=000225642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225642

0 1
S 0.507598 0.530703 0.498441
O -2.188473 -0.763252 1.850113
O -3.234086 0.333687 -2.613988
N -3.041023 -0.101603 -0.276764
C 2.025802 0.235983 -0.668231
C -0.734199 -0.760335 -0.171818
C 3.107600 1.175309 -0.149739
C 2.658591 -1.138265 -0.524227
C 4.211574 0.414634 0.340129
C 3.934832 -1.017042 0.109669
C -1.129765 -0.561046 -1.644365
C -2.031307 -0.564882 0.626321
C -2.570179 -0.047455 -1.625037
C 3.110419 2.578890 -0.085217
C 2.189727 -2.397043 -0.942216
C 5.332948 1.065496 0.895822
C 4.719046 -2.160581 0.366370
C -4.379483 0.265486 0.128461
C 4.240344 3.230940 0.470371
C 2.980778 -3.545971 -0.687381
C 5.338424 2.479481 0.957472
C 4.228864 -3.428081 -0.028720
C -5.015652 1.374883 -0.481008
C -5.046448 -0.483344 1.128876
C -6.323446 1.728128 -0.086871
C -6.351003 -0.112642 1.518886
C -6.995888 0.989999 0.913695
H 1.683259 0.467982 -1.691187
H -0.309493 -1.750250 0.056024
H -1.105888 -1.505363 -2.219413
H -0.499755 0.165974 -2.182217
H 2.256781 3.160456 -0.449435
H 1.240864 -2.500062 -1.480469
H 6.188277 0.493531 1.272192
H 5.697732 -2.074755 0.851291
H 4.263959 4.324601 0.527085
H 2.626979 -4.532055 -1.007565
H 6.201354 3.000970 1.386292
H 4.826110 -4.326273 0.163203
H -4.502368 1.944319 -1.258779
H -4.548743 -1.330296 1.605723
H -6.814053 2.584276 -0.562222
H -6.862346 -0.689917 2.296652
H -8.009767 1.270984 1.218479


