%chk=000216910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216910

0 1
S -3.926116 1.050208 -0.186075
O 5.131489 -1.176529 0.190396
O 1.417230 1.499360 -0.137486
O -7.235598 -0.914471 -0.051776
O -6.756395 1.193974 -0.248892
N 2.782036 1.636122 -0.126795
N -0.217078 -0.303824 0.011496
N -6.455909 0.016431 -0.128980
C 3.334034 0.411615 0.003953
C 4.754957 0.178411 0.052271
C -2.566152 -0.018381 -0.058295
C 2.288796 -0.593697 0.084675
C 1.110904 0.106965 -0.005456
C -2.974574 -1.329251 0.062540
C 5.873326 0.978080 -0.004876
C -5.036369 -0.265653 -0.076908
C -4.396374 -1.476986 0.052350
C -1.216471 0.527143 -0.088181
C 7.013034 0.105190 0.100380
C 6.526740 -1.171949 0.215300
H 2.441476 -1.653412 0.192011
H -2.290460 -2.169622 0.156392
H 5.904763 2.048438 -0.108044
H -4.903676 -2.434965 0.137037
H -1.132089 1.625621 -0.195061
H 8.038782 0.422879 0.088230
H 6.944694 -2.149596 0.317594


%chk=000216910-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216910

0 1
S -3.977336 1.165658 -0.204541
O 5.167238 -1.206961 0.190886
O 1.426397 1.537980 -0.140783
O -7.249680 -1.103363 -0.025100
O -6.936982 1.161170 -0.245814
N 2.871327 1.675184 -0.126677
N -0.203152 -0.277025 0.003402
N -6.501285 -0.052898 -0.120759
C 3.344163 0.394195 0.004339
C 4.770107 0.144972 0.055671
C -2.572995 0.031825 -0.067808
C 2.284770 -0.572975 0.076793
C 1.099386 0.147519 -0.014104
C -2.990710 -1.304300 0.060453
C 5.897429 0.955550 0.002350
C -5.074255 -0.246782 -0.078865
C -4.403447 -1.463613 0.054433
C -1.226339 0.556650 -0.097754
C 7.047593 0.089963 0.107280
C 6.570552 -1.206335 0.219450
H 2.388613 -1.648058 0.181315
H -2.269823 -2.118102 0.154037
H 5.892174 2.037996 -0.099272
H -4.931448 -2.414143 0.142425
H -1.095656 1.647905 -0.204504
H 8.092131 0.391636 0.100222
H 7.036228 -2.181548 0.320726


