%chk=000256600.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256600

0 1
S 5.489389 -0.937861 -0.448092
O 6.395999 -0.475936 -1.790235
O 6.380037 -0.947949 0.660299
O 4.742392 -2.078813 -0.880690
N 3.685923 0.511900 0.690556
N 4.491476 0.473913 -0.481107
N -1.868529 -0.281914 -0.177798
N -2.732575 0.327087 0.499607
C 2.266768 0.387342 0.403918
C 1.798733 -0.607208 -0.473529
C 1.362055 1.193146 1.122523
C -0.481951 0.005104 0.088281
C 0.428717 -0.795613 -0.632020
C -0.008113 0.995096 0.970033
C -4.122541 0.045999 0.227016
C -5.021456 0.587946 1.166696
C -4.601457 -0.676543 -0.881316
C -6.393032 0.399174 0.990848
C -5.976456 -0.853427 -1.044121
C -6.871516 -0.318532 -0.111227
H 2.505804 -1.242485 -1.018143
H 1.718811 1.962129 1.804648
H 0.053859 -1.567355 -1.309221
H -0.718037 1.609714 1.529311
H 3.884986 1.348667 1.268880
H 4.911626 1.375267 -0.764651
H -4.641446 1.147683 2.022305
H -3.899255 -1.094246 -1.604891
H -7.093171 0.813551 1.715186
H -6.352318 -1.411522 -1.900843
H -7.943228 -0.460766 -0.242815
H 6.243005 -0.990147 -2.601606


%chk=000256600-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256600

0 1
S 5.143049 -1.076262 2.517621
O 5.537364 -0.003308 0.394624
O 3.545626 -1.327640 2.346121
O 5.477615 0.266410 3.364583
N 3.693953 -0.010713 -1.452256
N 4.180281 0.074359 -2.655804
N -1.942752 0.120449 -0.824464
N -2.419573 -0.143813 0.368090
C 2.269479 0.020705 -1.322519
C 1.404635 0.319127 -2.414501
C 1.746855 -0.258344 -0.027095
C -0.514016 0.062866 -0.907193
C 0.021327 0.342178 -2.199500
C 0.358239 -0.241994 0.177010
C -3.843485 -0.091672 0.469434
C -4.362194 -0.384637 1.760109
C -4.728452 0.222995 -0.603599
C -5.754278 -0.365496 1.981951
C -6.114959 0.239986 -0.372223
C -6.632596 -0.053557 0.917176
H 1.838098 0.528996 -3.396541
H 2.420488 -0.514447 0.802336
H -0.680067 0.574012 -3.007194
H -0.070323 -0.460477 1.158669
H 4.709575 -0.026063 -0.262588
H 5.227480 0.045914 -2.566103
H -3.654648 -0.621815 2.561280
H -4.305970 0.444927 -1.588121
H -6.153900 -0.591345 2.976014
H -6.802339 0.480750 -1.190656
H -7.714912 -0.037929 1.087009
H 5.754897 0.909243 0.706133


