%chk=000295797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295797

0 1
S 0.517903 -4.360892 0.889344
O -3.956270 0.362227 -0.434444
O -2.260545 1.880063 0.095715
N 0.205501 0.709811 0.840340
N 0.272630 -1.634409 0.824201
N -1.673914 -2.985811 0.227478
C 1.623214 0.829546 1.266735
C 2.494410 1.290551 0.084736
C 1.702121 1.733272 2.513810
C -0.438731 -0.468166 0.624091
C 2.870652 2.642904 -0.107563
C 2.914741 0.325464 -0.867792
C -1.837836 -0.538199 0.198918
C 3.647261 3.022707 -1.226759
C 3.690703 0.700565 -1.985339
C 4.060010 2.054176 -2.169291
C -2.372397 -1.840466 0.023108
C -2.656101 0.663570 -0.036830
C -0.369525 -2.801943 0.626130
C -4.852267 1.530990 -0.696822
C -6.196341 0.960079 -1.135335
C 2.205488 -3.723105 1.414485
H 1.933406 -0.193864 1.541001
H -0.352906 1.561215 0.646318
H 1.284630 2.739088 2.323368
H 1.126205 1.283272 3.340608
H 2.750473 1.852803 2.839319
H 2.566347 3.407569 0.615673
H 2.619675 -0.722088 -0.729195
H 3.931109 4.072722 -1.361322
H 4.008249 -0.057913 -2.709763
H 4.663341 2.349107 -3.035193
H -3.412369 -1.953501 -0.296717
H -4.925134 2.126526 0.231211
H -4.382622 2.160548 -1.473989
H -6.901378 1.785593 -1.342841
H -6.088435 0.356891 -2.052764
H -6.631135 0.322265 -0.347049
H 2.107286 -3.114002 2.323981
H 2.646858 -3.121396 0.607300
H 2.812590 -4.621265 1.608141


%chk=000295797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295797

0 1
S 0.547773 -4.393054 1.009129
O -3.931283 0.318920 -0.437000
O -2.189132 1.788749 0.045895
N 0.180972 0.685388 0.784091
N 0.283274 -1.669409 0.861661
N -1.659979 -3.052781 0.322642
C 1.585133 0.863543 1.230972
C 2.460993 1.336582 0.055762
C 1.609074 1.781995 2.468927
C -0.438385 -0.516603 0.623233
C 3.104173 2.597711 0.029376
C 2.630732 0.463512 -1.052265
C -1.827995 -0.608563 0.210405
C 3.896223 2.980421 -1.079316
C 3.421016 0.840875 -2.157352
C 4.057886 2.105221 -2.175553
C -2.363970 -1.916029 0.083159
C -2.621957 0.595431 -0.054592
C -0.353064 -2.849603 0.705486
C -4.797459 1.504260 -0.724238
C -6.157090 0.958519 -1.146672
C 2.236967 -3.726817 1.493915
H 1.925890 -0.145362 1.524914
H -0.399865 1.512411 0.561016
H 1.196805 2.783515 2.246189
H 1.000802 1.337019 3.274742
H 2.640680 1.907820 2.842410
H 2.995691 3.290241 0.870625
H 2.136272 -0.515405 -1.040652
H 4.386423 3.960670 -1.084466
H 3.542912 0.153520 -3.002076
H 4.672375 2.401746 -3.032976
H -3.405851 -2.041220 -0.225322
H -4.852036 2.122205 0.190168
H -4.313487 2.103444 -1.516303
H -6.841007 1.797096 -1.371662
H -6.067397 0.331834 -2.050255
H -6.606305 0.350443 -0.343078
H 2.146825 -3.101879 2.393478
H 2.657247 -3.135322 0.668270
H 2.857022 -4.614538 1.694318


