%chk=000200994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200994

0 1
S -3.427990 -0.227446 0.917599
S 3.269747 -1.793366 1.531651
P 3.477906 -0.287924 0.376067
O 2.219285 -0.030725 -0.724410
O -3.857509 -1.610815 0.922208
O -3.617429 0.628292 2.071598
N -4.253288 0.534621 -0.394821
N 3.555685 1.221693 1.234106
N 4.817499 -0.418483 -0.737311
C -1.746639 -0.179560 0.479379
C 0.924772 -0.093737 -0.225445
C -0.954733 0.900813 0.882173
C -1.186089 -1.236245 -0.247192
C 0.393052 0.963725 0.525938
C 0.157781 -1.201842 -0.617667
C -4.011786 1.987141 -0.544024
C -4.254441 -0.215496 -1.670669
C 4.168950 2.376821 0.531194
C 4.616443 0.188164 -2.081051
H -1.389614 1.702857 1.491155
H -1.799597 -2.104508 -0.516645
H 1.018231 1.801833 0.835931
H 0.616421 -2.014351 -1.178166
H -4.138298 2.480409 0.440286
H -4.776718 2.422694 -1.211608
H -3.021123 2.242613 -0.951766
H -4.547599 -1.266359 -1.475387
H -3.291778 -0.202343 -2.205490
H -5.023480 0.202389 -2.344790
H 3.884532 1.160384 2.219486
H 5.205252 -1.382336 -0.832684
H 5.240163 2.255120 0.288839
H 4.073456 3.272995 1.172345
H 3.620998 2.601845 -0.402338
H 3.884626 -0.340834 -2.717996
H 5.587573 0.189625 -2.610174
H 4.292137 1.241137 -2.007120


%chk=000200994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200994

0 1
S -3.603585 -0.534925 0.550639
S 3.717123 -0.581521 2.697426
P 3.710251 -0.023166 0.707031
O 2.394369 -0.632091 -0.369139
O -4.206668 -1.807203 -0.263736
O -3.869809 -0.266587 2.132052
N -4.321875 0.992147 -0.329342
N 3.547523 1.666105 0.410215
N 5.053208 -0.632776 -0.166620
C -1.731836 -0.543723 0.291487
C 1.023328 -0.568606 -0.082767
C -0.918231 0.098925 1.240232
C -1.213534 -1.221309 -0.828181
C 0.479836 0.089959 1.050752
C 0.182255 -1.232515 -1.012684
C -3.815845 2.235679 0.293714
C -4.133995 0.887150 -1.793629
C 2.902890 2.327241 -0.739290
C 5.411941 -0.242234 -1.539068
H -1.363995 0.561991 2.126705
H -1.882430 -1.755129 -1.511003
H 1.136409 0.557641 1.790031
H 0.638507 -1.757947 -1.856459
H -3.894427 2.140918 1.389567
H -4.480934 3.058555 -0.025726
H -2.769917 2.493611 0.009152
H -4.432496 -0.123489 -2.118164
H -3.096458 1.105155 -2.136318
H -4.820457 1.613220 -2.266104
H 3.877128 2.259712 1.173865
H 5.449359 -1.497343 0.208689
H 3.599239 3.033642 -1.229225
H 1.995012 2.877725 -0.427764
H 2.599201 1.570100 -1.479140
H 4.824242 -0.779258 -2.308730
H 6.484860 -0.444267 -1.699640
H 5.256210 0.843411 -1.665624


