%chk=000217087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217087

0 1
S 1.724512 -0.721557 1.747635
S -4.586704 -0.574268 0.307984
S -1.967431 -2.001527 0.920083
P 2.967075 0.289895 0.403544
O 4.317627 0.198926 1.326075
O 2.681704 1.896277 0.517303
O 2.933406 -0.293827 -0.955032
N -0.751008 -0.082288 -0.298254
N -2.063402 0.231457 -0.358633
C -5.031789 0.989583 -0.581118
C 0.841675 -1.812230 0.557526
C -4.741259 2.170600 0.319032
C -6.503555 0.810111 -0.901025
C -0.477072 -1.216444 0.332905
C 5.485375 0.936957 0.859679
C 1.562345 2.434263 -0.259005
C -2.868985 -0.653818 0.219149
C 6.124675 0.262722 -0.338227
C 0.511310 2.879629 0.737755
H -4.421215 1.049517 -1.516044
H 1.404341 -1.918503 -0.413784
H 0.810693 -2.828097 1.002459
H -5.063889 3.111913 -0.147402
H -3.663090 2.273062 0.519396
H -5.248374 2.103556 1.290091
H -7.127482 0.704909 -0.002695
H -6.691976 -0.064820 -1.539145
H -6.888224 1.685531 -1.445360
H 6.129326 0.878888 1.762651
H 5.214443 1.993335 0.672574
H 1.171109 1.707265 -0.998748
H 2.031259 3.287692 -0.787715
H 7.123131 0.669461 -0.536886
H 6.235154 -0.819571 -0.175168
H 5.538763 0.375855 -1.263153
H -0.225534 3.540822 0.266719
H -0.043394 2.028738 1.158067
H 0.968062 3.414986 1.580770


%chk=000217087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217087

0 1
S 1.762436 -1.230919 1.849056
S -4.691506 -0.471740 0.654718
S -2.062197 -2.079554 1.247073
P 3.013869 0.047460 0.399004
O 4.448777 0.117086 1.340653
O 2.554476 1.712169 0.480997
O 3.027875 -0.571435 -1.073214
N -0.850458 -0.470666 -0.505968
N -2.183741 -0.026383 -0.469330
C -5.001383 1.048739 -0.512170
C 0.754894 -2.107494 0.466908
C -4.449922 2.330232 0.126778
C -6.515860 1.079547 -0.768100
C -0.594993 -1.499917 0.297815
C 5.527529 1.094523 0.972731
C 1.356102 2.190999 -0.291861
C -2.946578 -0.736620 0.369875
C 6.269966 0.679803 -0.300009
C 0.368442 2.814005 0.691782
H -4.438432 0.797869 -1.426651
H 1.348338 -1.997824 -0.459857
H 0.716824 -3.165478 0.764432
H -4.627939 3.182745 -0.557424
H -3.363621 2.252179 0.297015
H -4.952567 2.548365 1.085691
H -7.082682 1.237329 0.167727
H -6.871099 0.148563 -1.242340
H -6.748161 1.922064 -1.445809
H 6.181222 1.059638 1.859532
H 5.077924 2.100058 0.886351
H 0.897336 1.352374 -0.846710
H 1.752558 2.929895 -1.009485
H 7.109255 1.377484 -0.481484
H 6.678778 -0.339850 -0.200195
H 5.605876 0.701212 -1.181928
H -0.498020 3.218715 0.135170
H -0.000354 2.057702 1.405157
H 0.838639 3.636122 1.258071


