%chk=000200732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200732

0 1
S -3.403702 -1.363454 1.899678
P -2.370982 -0.451449 0.530090
P 1.886296 0.821316 0.347991
O 2.464418 -0.688302 0.688675
O 2.528670 1.169978 -1.146068
O 2.201197 1.778767 1.427287
N -3.043250 1.114327 0.042806
N -2.222353 -1.385936 -0.956835
C -3.172915 2.215120 1.047624
C -4.405053 1.524201 0.505449
C -2.912785 -0.973177 -2.219360
C -3.382936 -2.188486 -1.450902
C -0.588219 -0.093536 0.997935
C 0.098673 0.605787 -0.152673
C 2.392914 -1.682838 -0.373742
C 3.814395 1.845671 -1.142794
C 3.448222 -2.702600 0.014780
C 4.945426 0.855845 -0.927687
H -2.885851 2.094011 2.097375
H -2.884269 3.206234 0.676475
H -5.018822 2.009986 -0.261550
H -5.019276 0.889273 1.159667
H -3.528749 -0.070342 -2.282746
H -2.306101 -1.092542 -3.125030
H -3.120137 -3.197596 -1.793233
H -4.351654 -2.200087 -0.938302
H -0.102927 -1.064709 1.266988
H -0.575798 0.509666 1.936809
H 0.039480 0.045028 -1.111633
H -0.339092 1.604892 -0.375789
H 2.602702 -1.226100 -1.360596
H 1.372787 -2.115414 -0.354930
H 3.829660 2.278540 -2.163873
H 3.819498 2.663602 -0.394154
H 3.391079 -3.602202 -0.606776
H 3.324339 -3.005108 1.066101
H 4.460006 -2.285861 -0.067512
H 5.916897 1.314556 -1.148822
H 4.837112 -0.023542 -1.575361
H 4.994199 0.488684 0.108136


%chk=000200732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200732

0 1
S -3.791486 -0.915000 1.959308
P -2.476998 -0.105776 0.536752
P 1.973087 0.716518 0.406263
O 2.460013 -0.960632 0.520715
O 2.687586 1.318025 -1.066814
O 2.366246 1.504709 1.730179
N -2.836061 1.560909 -0.046743
N -2.354873 -0.978470 -1.039302
C -3.454082 2.518291 0.966421
C -4.296615 1.964532 -0.162048
C -3.631854 -1.575862 -1.606332
C -2.584605 -2.485221 -1.001284
C -0.674673 0.027571 1.030321
C 0.169488 0.678293 -0.078603
C 2.425087 -1.824627 -0.691881
C 3.993630 2.035560 -0.960333
C 3.167020 -3.108370 -0.327522
C 5.174219 1.060360 -0.921969
H -3.665485 2.128366 1.971219
H -3.053442 3.534368 0.912160
H -4.515516 2.574979 -1.042499
H -5.053824 1.219445 0.116800
H -4.556009 -1.445910 -1.027514
H -3.721242 -1.475430 -2.691584
H -1.906980 -3.051546 -1.646664
H -2.829390 -2.936510 -0.030020
H -0.339302 -0.999531 1.261458
H -0.640107 0.610524 1.967512
H 0.078868 0.131784 -1.031843
H -0.140437 1.720369 -0.259580
H 2.907965 -1.294863 -1.535050
H 1.369074 -2.034885 -0.961791
H 4.011065 2.668858 -1.862712
H 3.974051 2.677492 -0.059167
H 3.158883 -3.809263 -1.183195
H 2.689420 -3.601383 0.536170
H 4.214489 -2.886519 -0.062435
H 6.125733 1.624530 -0.908989
H 5.173795 0.405132 -1.810846
H 5.136359 0.431386 -0.015061


