%chk=000217063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217063

0 1
O -4.643099 -1.431365 -1.621200
N -2.922711 0.273874 -0.260973
N -0.184588 1.125348 -0.551932
N -4.257625 0.036617 0.131633
C -1.909356 -0.117255 0.800353
C -2.618744 1.754545 -0.400987
C -1.898992 1.042107 1.833208
C -2.366601 2.280461 1.038166
C -0.573280 -0.210264 0.022572
C -1.331979 1.789983 -1.263972
C 0.975637 0.964250 -1.493032
C -5.030986 -0.873073 -0.619287
C 2.218117 0.668770 -0.699354
C -6.438833 -1.051833 -0.057640
C 3.193714 -0.130129 -1.146990
C -6.436553 -1.968781 1.157701
C 4.434168 -0.396239 -0.400992
C 4.418652 -0.599054 0.989225
C 5.656331 -0.461088 -1.094348
C 5.608911 -0.857225 1.674205
C 6.842240 -0.715242 -0.402872
C 6.822146 -0.914294 0.981953
H -2.153749 -1.096591 1.259799
H -3.439951 2.295045 -0.914975
H -0.886342 1.196014 2.243253
H -2.559000 0.828313 2.685569
H -3.275427 2.724879 1.467981
H -1.592683 3.066795 1.041512
H -0.668176 -1.002349 -0.754480
H 0.240303 -0.517582 0.713615
H -1.038289 2.845950 -1.443076
H -1.556001 1.326691 -2.251221
H -4.594550 0.419020 1.016034
H 1.130403 1.930665 -2.030816
H 0.796263 0.195872 -2.278349
H 2.275394 1.180086 0.265290
H -7.064605 -1.493684 -0.865475
H -6.908336 -0.078180 0.177850
H 3.127767 -0.629664 -2.116348
H -5.886608 -1.540125 2.002493
H -5.977481 -2.940051 0.923868
H -7.460042 -2.170357 1.498854
H 3.476597 -0.561440 1.532388
H 5.678178 -0.306470 -2.171183
H 5.589995 -1.014810 2.751246
H 7.786036 -0.759520 -0.943849
H 7.747435 -1.114017 1.517382


%chk=000217063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217063

0 1
O -4.944232 -1.401519 -1.428470
N -2.892169 0.172651 -0.197049
N -0.203375 1.142378 -0.629193
N -4.178037 -0.080780 0.359700
C -1.772617 -0.204883 0.742572
C -2.620755 1.645633 -0.380700
C -1.742967 0.936478 1.816628
C -2.308530 2.185602 1.057937
C -0.486597 -0.221323 -0.112511
C -1.385423 1.735850 -1.304814
C 1.025436 1.211614 -1.456242
C -5.131765 -0.853388 -0.309876
C 2.275264 0.944787 -0.648080
C -6.468439 -0.954029 0.449290
C 3.239005 0.048167 -1.002643
C -7.040323 -2.387153 0.398641
C 4.503471 -0.236991 -0.293136
C 4.911703 0.455018 0.883948
C 5.363021 -1.250971 -0.803485
C 6.126654 0.138966 1.523425
C 6.581049 -1.567942 -0.164846
C 6.969459 -0.874312 1.003969
H -1.961725 -1.208465 1.155900
H -3.488486 2.122806 -0.863377
H -0.715471 1.114571 2.172916
H -2.365563 0.671250 2.692010
H -3.223483 2.579283 1.538758
H -1.565993 2.999076 1.020011
H -0.631469 -0.959806 -0.937736
H 0.373831 -0.552046 0.497385
H -1.163704 2.796233 -1.532864
H -1.636449 1.215844 -2.260421
H -4.425484 0.318853 1.276288
H 1.074140 2.240866 -1.870587
H 0.986317 0.513874 -2.331708
H 2.368189 1.547969 0.266081
H -7.176428 -0.260359 -0.046093
H -6.363102 -0.610927 1.497519
H 3.073667 -0.540960 -1.918404
H -6.407155 -3.090794 0.968252
H -7.074537 -2.735386 -0.647418
H -8.060936 -2.419516 0.819940
H 4.278511 1.247296 1.298683
H 5.066515 -1.793630 -1.710143
H 6.423019 0.683392 2.427385
H 7.225164 -2.352624 -0.577396
H 7.914497 -1.116048 1.502750


