%chk=000294304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294304

0 1
O -2.144385 -0.944276 1.323450
N -3.187126 -1.506403 -0.621845
N -6.684241 2.100526 -0.078611
C 2.902080 -0.280441 0.321256
C 4.185173 -0.033001 -0.483212
C 1.690305 -0.472485 -0.601010
C 5.396215 0.156731 0.440235
C 0.412922 -0.716323 0.209912
C 6.679285 0.404356 -0.363767
C -0.803393 -0.915568 -0.704356
C 7.891717 0.592810 0.559876
C -2.063481 -1.096202 0.116665
C 9.150129 0.831704 -0.221700
C -4.504681 -1.633987 0.040736
C -5.272886 -0.332398 -0.009245
C 10.317456 0.258211 0.064041
C -6.385374 -0.182680 -0.845890
C -4.872060 0.745187 0.793074
C -7.062630 1.048647 -0.848748
C -5.601719 1.940758 0.729471
H 3.028413 -1.170660 0.967845
H 2.720146 0.567077 1.010679
H 4.060055 0.858708 -1.127366
H 4.367347 -0.880099 -1.172462
H 1.566301 0.418355 -1.246714
H 1.872932 -1.321466 -1.287734
H 5.214506 1.003128 1.130574
H 5.521380 -0.735153 1.084488
H 0.533228 -1.601328 0.867223
H 0.222616 0.130978 0.901239
H 6.553778 1.294748 -1.009628
H 6.865484 -0.444245 -1.050868
H -0.918836 -0.039896 -1.376333
H -0.637218 -1.790089 -1.365997
H 7.997059 -0.288053 1.225353
H 7.722953 1.455664 1.239103
H -3.199175 -1.478723 -1.634265
H 9.048273 1.533410 -1.052044
H -4.346040 -1.935357 1.110205
H -5.068429 -2.463843 -0.440838
H 11.222018 0.448149 -0.494196
H 10.463215 -0.442425 0.872457
H -6.727269 -0.995532 -1.479701
H -4.005841 0.647268 1.453486
H -7.939858 1.210680 -1.485867
H -5.325643 2.809143 1.339428


%chk=000294304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294304

0 1
O -2.142656 -0.138434 1.851792
N -3.044257 -0.716049 -0.212987
N -7.863064 0.910155 -1.105765
C 3.091344 -0.288964 0.438290
C 4.374324 0.325374 -0.165716
C 1.793289 0.302009 -0.156656
C 5.672234 -0.265512 0.429262
C 0.516786 -0.308480 0.461189
C 6.954190 0.346849 -0.178156
C -0.779482 0.278206 -0.150066
C 8.253248 -0.250278 0.426994
C -2.029356 -0.204346 0.589141
C 9.508085 0.389634 -0.128484
C -4.308143 -1.214289 0.347918
C -5.533748 -0.476270 -0.175249
C 10.514225 -0.265699 -0.760950
C -6.704107 -1.176928 -0.554672
C -5.556841 0.937883 -0.274263
C -7.831101 -0.451836 -1.006435
C -6.726896 1.578345 -0.737058
H 3.100952 -1.387541 0.279132
H 3.092358 -0.134525 1.537230
H 4.365092 1.423851 -0.005371
H 4.372500 0.171950 -1.265252
H 1.786012 1.401071 0.001013
H 1.790560 0.144794 -1.255994
H 5.676447 -0.109096 1.528467
H 5.680724 -1.364401 0.272183
H 0.524773 -1.408603 0.323064
H 0.496012 -0.126896 1.552132
H 6.948326 1.445345 -0.019323
H 6.960668 0.189694 -1.275360
H -0.745534 1.382201 -0.055962
H -0.836189 0.046122 -1.231998
H 8.278675 -1.343405 0.250465
H 8.222102 -0.104975 1.528294
H -2.909842 -0.750400 -1.224760
H 9.581807 1.482302 -0.001493
H -4.211994 -1.078027 1.443299
H -4.413396 -2.299844 0.156430
H 11.395385 0.261971 -1.143540
H 10.483939 -1.352187 -0.913014
H -6.744095 -2.271215 -0.502314
H -4.678922 1.528199 0.008506
H -8.747638 -0.972530 -1.306904
H -6.772098 2.670377 -0.818662


