%chk=000276759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276759

0 1
S -1.379881 1.266365 -0.002362
O -5.058849 0.080618 0.243866
O -4.038273 1.993684 0.300230
N 1.016142 0.158719 -0.216235
N -2.446587 -1.118910 -0.046336
N 3.343018 -0.299192 -0.602465
N -4.064096 0.770894 0.211878
N 1.799239 -1.852497 -1.363146
N 5.201737 1.039786 -0.190493
N 3.210770 1.562455 1.008298
C -0.314939 -0.123884 -0.175844
C -1.086937 -1.295336 -0.175599
C -2.749489 0.167250 0.054461
C 1.991009 -0.640279 -0.703985
C 3.844728 0.751839 0.070618
H -0.700710 -2.307935 -0.219312
H 2.589807 -2.309409 -1.802110
H 0.891982 -2.087147 -1.740907
H 5.698264 0.355501 -0.760078
H 5.765004 1.409788 0.564359
H 3.606189 2.455896 1.265015
H 2.186573 1.519994 1.069346


%chk=000276759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276759

0 1
S -1.413557 1.416113 -0.074544
O -5.046482 -0.259360 0.318838
O -4.289922 1.908963 0.191693
N 1.097356 0.263886 -0.179828
N -2.345101 -1.095128 0.108761
N 3.379565 -0.355928 -0.638967
N -4.108607 0.617475 0.208865
N 1.688321 -1.621736 -1.558172
N 5.276993 0.725598 0.117065
N 3.164974 1.627130 0.706509
C -0.239711 0.002908 -0.120431
C -0.976901 -1.208759 -0.010041
C -2.734819 0.168346 0.092768
C 2.024539 -0.548687 -0.759056
C 3.902525 0.671501 0.068150
H -0.523284 -2.198645 0.063417
H 2.448376 -2.128935 -2.006345
H 0.720730 -1.818362 -1.806283
H 5.784409 -0.004900 -0.376502
H 5.784111 1.446522 0.622504
H 3.579138 2.404375 1.216776
H 2.132048 1.485824 0.604023