%chk=000217082.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217082

0 1
S -1.428309 -1.412669 0.426935
S 2.231785 -2.128584 0.122165
S -4.416445 -1.637824 -1.358935
S 4.847879 -0.754219 0.892332
P -3.135916 -0.559500 -0.459209
O -2.543369 0.563649 -1.495787
O -3.572767 0.233133 0.916550
N 1.403399 0.168043 -0.706044
N 2.649976 0.386100 -0.241733
C -0.318656 -1.612551 -1.031027
C -1.796799 1.711846 -0.961455
C -5.005542 0.460726 1.140475
C 0.982414 -1.088180 -0.606839
C -1.048658 2.221592 -2.176557
C -5.012392 1.248965 2.435887
C 3.256661 -0.698927 0.235151
C 5.417081 0.977804 0.762140
C 6.817777 0.987915 1.329462
H -0.689338 -1.061380 -1.933519
H -0.298876 -2.687648 -1.311256
H -2.547138 2.432535 -0.587559
H -1.112718 1.405706 -0.147897
H -5.427508 1.035608 0.295721
H -5.516980 -0.516288 1.242492
H -1.624592 2.031208 -3.095536
H -0.075348 1.721493 -2.293268
H -0.861791 3.299199 -2.114287
H -4.518936 2.222784 2.318992
H -4.462048 0.713902 3.224296
H -6.034045 1.422333 2.793144
H 4.730825 1.645790 1.320143
H 5.387468 1.308852 -0.295191
H 6.850569 0.675373 2.383114
H 7.506475 0.338730 0.769867
H 7.241861 2.003181 1.290034


%chk=000217082-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217082

0 1
S -1.487689 -1.361479 0.833592
S 2.250260 -2.189201 0.780744
S -4.226240 -1.575855 -1.771563
S 5.016041 -0.735117 1.093090
P -3.126008 -0.410225 -0.483473
O -2.309449 0.854069 -1.340527
O -3.935180 0.362241 0.851835
N 1.560009 -0.202439 -0.870116
N 2.871094 0.103489 -0.462915
C -0.294806 -1.847208 -0.603717
C -1.596813 1.936909 -0.581343
C -5.427568 0.476315 0.832938
C 1.075066 -1.324479 -0.343462
C -0.639361 2.589255 -1.572450
C -5.819875 1.011772 2.206228
C 3.377628 -0.803554 0.379563
C 5.643946 0.877675 0.275908
C 7.077433 1.128573 0.755154
H -0.687934 -1.392941 -1.527522
H -0.328725 -2.943088 -0.679793
H -2.363245 2.636775 -0.201846
H -1.059079 1.485359 0.274487
H -5.724675 1.163138 0.018367
H -5.860843 -0.521368 0.632926
H -1.183312 2.954043 -2.460416
H 0.136836 1.871706 -1.884339
H -0.143017 3.452052 -1.088952
H -5.357273 1.995786 2.392441
H -5.500375 0.317544 3.001393
H -6.918534 1.126052 2.258994
H 4.945262 1.674967 0.571781
H 5.573274 0.728536 -0.812306
H 7.127390 1.253757 1.851115
H 7.756206 0.307374 0.465077
H 7.455553 2.058264 0.291907


