%chk=000191239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191239

0 1
S 1.323372 0.114844 0.887690
P 5.058918 1.392681 -0.152982
O 1.516744 -3.558735 0.098112
O 3.859967 0.443057 0.402356
O 4.565946 1.733612 -1.693034
O 6.199881 0.251012 -0.485941
O 5.454993 2.546549 0.654168
N -1.336884 0.170368 0.331559
N -2.750093 1.863895 1.002952
N -3.040675 -1.258803 -0.857673
N -5.291400 -0.295647 -0.786930
N -5.782804 1.754545 0.285315
C 2.356453 -1.300146 0.340812
C 1.448550 -2.255124 -0.476637
C -0.153041 -0.564557 0.162837
C 0.042781 -1.722190 -0.482013
C 3.497295 -0.689542 -0.454234
C -2.622604 -0.169793 -0.141503
C -1.492781 1.433916 1.026335
C -3.484212 0.898561 0.288488
C -4.863921 0.803522 -0.062753
C -4.375700 -1.247932 -1.138225
H 2.747272 -1.824729 1.247616
H 1.837143 -2.430100 -1.509486
H -0.726868 -2.300247 -0.995309
H 3.187820 -0.315702 -1.452486
H 4.364078 -1.377314 -0.545280
H 0.941975 -3.632106 0.892178
H -0.650759 1.931559 1.495774
H -4.766987 -2.104924 -1.715165
H -5.501898 2.564741 0.816960
H -6.751934 1.656206 0.024545
H 4.430960 2.682911 -1.933763
H 7.148714 0.528412 -0.491381


%chk=000191239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191239

0 1
S 1.322400 -0.113215 1.519294
P 5.148556 1.336999 -0.391391
O 1.302795 -3.668748 0.867771
O 4.245154 0.124024 0.399353
O 4.010434 2.313103 -1.264555
O 5.749907 0.420561 -1.709265
O 6.137582 2.124540 0.554179
N -1.263832 0.112013 0.477049
N -2.700451 1.835710 1.000798
N -2.798939 -1.230171 -0.978965
N -5.017472 -0.187133 -1.191128
N -5.584371 1.844628 -0.125590
C 2.420466 -1.421779 0.659833
C 1.459138 -2.469759 0.013948
C -0.083665 -0.661676 0.456849
C 0.135970 -1.799422 -0.261626
C 3.322440 -0.750563 -0.372673
C -2.484149 -0.171401 -0.181441
C -1.470163 1.335652 1.165653
C -3.344425 0.904502 0.161018
C -4.662561 0.868523 -0.381256
C -4.086918 -1.155489 -1.438918
H 3.026664 -1.900144 1.444576
H 1.927204 -2.883335 -0.896936
H -0.622284 -2.238521 -0.914182
H 2.743868 -0.152368 -1.100948
H 3.929960 -1.506076 -0.905130
H 0.631840 -3.465646 1.570606
H -0.680124 1.793411 1.756796
H -4.413039 -1.973810 -2.087248
H -5.340133 2.631389 0.472418
H -6.511689 1.767877 -0.538737
H 3.719611 3.128934 -0.782254
H 6.220526 0.930190 -2.414997


