%chk=000228459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228459

0 1
S 2.728330 0.231369 -0.014294
O 3.308972 -0.700738 -0.936557
O 2.989444 1.654593 -0.130753
N 0.167252 1.234602 -0.186877
N 0.292636 -1.027125 0.176119
N 3.180341 -0.211574 1.563593
C -1.147417 0.770851 -0.120657
C 0.991374 0.107046 -0.003544
C -1.053433 -0.652320 0.107904
C -2.398105 1.420995 -0.233258
C -2.234729 -1.426236 0.223244
C -3.522788 0.633491 -0.114559
C -3.442939 -0.775330 0.111262
H 0.486903 2.182042 -0.328697
H -2.455388 2.491363 -0.405813
H -2.158090 -2.499627 0.393482
H -4.513496 1.083729 -0.193467
H -4.375132 -1.334172 0.193445
H 3.449756 -1.169898 1.768786
H 3.702507 0.440937 2.141039


%chk=000228459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228459

0 1
S 2.791867 0.200113 -0.036904
O 3.488905 -0.941635 -0.948586
O 3.012054 1.798244 -0.308539
N 0.172985 1.167117 -0.130887
N 0.258100 -1.117204 0.084983
N 3.154524 -0.033529 1.742434
C -1.164293 0.741924 -0.086083
C 0.936126 0.012873 -0.029487
C -1.095745 -0.693046 0.051220
C -2.390981 1.435207 -0.149655
C -2.281378 -1.458341 0.130709
C -3.559925 0.651439 -0.068569
C -3.507694 -0.768896 0.069461
H 0.563964 2.106031 -0.236961
H -2.443109 2.523046 -0.255950
H -2.232768 -2.546048 0.233412
H -4.536591 1.145279 -0.112913
H -4.445757 -1.330648 0.127422
H 3.340400 -1.031371 1.935633
H 3.935315 0.593446 1.999657


