%chk=000212647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212647

0 1
S -4.278996 -1.111342 0.421263
O -1.487011 -1.746514 1.002197
N -0.507452 0.222875 0.376526
C 1.780312 -0.281961 -0.651837
C 3.218805 -0.279977 0.014985
C 2.923899 1.046624 0.812126
C 0.866152 -0.255168 0.635766
C 1.737084 1.129238 -1.315299
C 1.638721 0.692450 1.604964
C 2.502899 2.032014 -0.313296
C 1.460348 -1.419812 -1.591069
C 3.512245 -1.488002 0.908463
C 4.376827 -0.157798 -0.978989
C -1.609772 -0.604933 0.576815
C -2.930709 -0.037077 0.260213
C -3.347154 1.203814 -0.141407
C -4.771845 1.279042 -0.323838
C -5.412034 0.100156 -0.057965
H 3.747235 1.406921 1.436645
H 0.796392 -1.289330 1.066740
H 0.712703 1.477844 -1.497949
H 2.227608 1.111101 -2.301151
H 1.870712 0.184319 2.553225
H 1.060984 1.587645 1.877051
H 3.380381 2.504842 -0.779406
H 1.876519 2.849157 0.070920
H 2.146157 -1.446051 -2.445192
H 1.530216 -2.392141 -1.086063
H 0.439450 -1.339354 -1.985265
H 2.727722 -1.691990 1.644319
H 3.624836 -2.399420 0.309619
H 4.443112 -1.343525 1.467889
H 4.252886 0.665233 -1.689073
H 5.324538 0.009646 -0.455468
H 4.482444 -1.074666 -1.570125
H -0.601802 1.154488 -0.012525
H -2.705740 2.057262 -0.309521
H -5.260666 2.190368 -0.639863
H -6.468205 -0.104878 -0.118927


%chk=000212647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212647

0 1
S -4.348117 -1.207023 0.488268
O -1.431484 -1.914640 0.780778
N -0.524496 0.207331 0.407607
C 1.779440 -0.252183 -0.645286
C 3.217468 -0.270994 0.029875
C 2.962695 1.064274 0.821762
C 0.866325 -0.201999 0.639281
C 1.752843 1.169989 -1.297099
C 1.653961 0.753704 1.608197
C 2.582760 2.066535 -0.308241
C 1.423053 -1.390288 -1.603953
C 3.495249 -1.495900 0.937899
C 4.385411 -0.190602 -0.982915
C -1.586273 -0.682896 0.490607
C -2.934553 -0.114925 0.226870
C -3.348322 1.141239 -0.214324
C -4.775454 1.268467 -0.346161
C -5.455160 0.105581 -0.007769
H 3.798941 1.398675 1.459572
H 0.787933 -1.221124 1.054447
H 0.718199 1.531028 -1.445970
H 2.211395 1.139765 -2.301909
H 1.847547 0.262676 2.577438
H 1.084573 1.677360 1.824192
H 3.478759 2.486474 -0.798483
H 2.000752 2.919048 0.088318
H 2.100689 -1.408142 -2.478394
H 1.473353 -2.374938 -1.104106
H 0.390704 -1.273702 -1.983536
H 2.774778 -1.616232 1.763543
H 3.481466 -2.429998 0.345483
H 4.501500 -1.407758 1.389603
H 4.270618 0.611605 -1.730759
H 5.339454 -0.016929 -0.449479
H 4.484708 -1.145843 -1.532036
H -0.715198 1.192818 0.222710
H -2.663212 1.959767 -0.455164
H -5.274523 2.181158 -0.680283
H -6.527983 -0.080278 -0.015083


