%chk=000254316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254316

0 1
S 1.181134 -0.928558 0.154248
O -4.386199 -2.617917 -0.055060
O -5.723839 1.806110 -0.099882
N -3.455682 1.429648 -0.015853
N -5.058059 -0.412435 -0.077575
N -1.478786 -1.560239 0.054928
N -1.054010 0.698406 0.072942
C -2.723690 -0.901966 0.009001
C -2.431059 0.490527 0.021465
C -4.057569 -1.449489 -0.041572
C -4.819773 0.993402 -0.066972
C -0.516711 -0.566193 0.091801
C 3.406514 0.441398 0.242155
C 1.944292 0.729400 0.189521
C -3.145887 2.879615 -0.001884
C 5.515372 0.041413 -0.912060
C 4.141388 0.307816 -0.946285
C 6.168488 -0.095523 0.334833
C -6.490706 -0.816875 -0.131158
C 4.055835 0.303218 1.476567
C 5.426137 0.037671 1.516135
C 6.274084 -0.095399 -2.192713
C 7.633824 -0.379300 0.406391
H -1.365580 -2.560646 0.058548
H 1.577834 1.306142 1.063698
H 1.642600 1.314127 -0.703869
H -2.591887 3.143054 0.916617
H -4.082713 3.468996 -0.037085
H -2.522962 3.145504 -0.874350
H 3.636691 0.411100 -1.906462
H -6.570421 -1.920666 -0.134974
H -6.968302 -0.420670 -1.043921
H -7.034809 -0.422064 0.744234
H 3.497180 0.400691 2.406125
H 5.921411 -0.067242 2.480890
H 7.079334 0.650211 -2.261118
H 6.739538 -1.088217 -2.276019
H 5.638766 0.035915 -3.078350
H 8.218304 0.413826 -0.082025
H 8.000190 -0.458941 1.438166
H 7.882029 -1.325148 -0.096681


%chk=000254316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254316

0 1
S 1.088305 -1.313693 0.128768
O -4.651780 -2.629613 -0.034169
O -5.662646 1.985877 -0.086108
N -3.395689 1.379926 -0.020870
N -5.137892 -0.299309 -0.060528
N -1.676741 -1.729159 0.046239
N -1.086785 0.474246 0.049816
C -2.871844 -0.994272 0.005299
C -2.471376 0.348280 0.010567
C -4.239249 -1.428074 -0.031652
C -4.781872 1.078716 -0.058075
C -0.636136 -0.812268 0.071211
C 3.389968 0.298482 0.230009
C 1.894190 0.446103 0.158886
C -2.954418 2.787603 -0.014936
C 5.574446 0.084951 -0.919387
C 4.166631 0.216522 -0.953912
C 6.235966 0.032050 0.347131
C -6.591728 -0.579619 -0.096165
C 4.054174 0.242226 1.479576
C 5.457977 0.112325 1.528607
C 6.366249 0.004997 -2.212016
C 7.745084 -0.104828 0.431058
H -1.616528 -2.746993 0.055718
H 1.460369 0.949780 1.035012
H 1.542937 0.942712 -0.757450
H -2.372232 2.998467 0.897890
H -3.855341 3.417364 -0.044507
H -2.319665 2.989468 -0.894133
H 3.659830 0.257015 -1.926634
H -6.712453 -1.672843 -0.094372
H -7.039901 -0.141425 -1.002857
H -7.085062 -0.133503 0.782813
H 3.474711 0.300497 2.408455
H 5.962824 0.074279 2.501156
H 7.104527 0.826242 -2.288997
H 6.936843 -0.941125 -2.281088
H 5.704027 0.063343 -3.092115
H 8.258561 0.735571 -0.074661
H 8.086707 -0.127556 1.479463
H 8.097314 -1.032061 -0.060646


