%chk=000280030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280030

0 1
O -3.100605 1.993150 -0.168156
O 5.098349 -2.006917 0.260717
N -3.691391 -0.209409 0.111074
N -2.028295 -1.943382 0.237526
N 2.671407 -0.890222 0.188435
C -1.323101 0.403308 0.031265
C -1.001713 -0.978469 0.162518
C -5.104844 0.141064 0.123841
C -2.705047 0.854301 -0.021494
C -3.294647 -1.570025 0.212290
C 1.364316 -0.440639 0.133303
C 0.330723 -1.399877 0.212820
C -5.769293 0.478293 -1.076182
C -0.272426 1.344894 -0.048092
C 1.047617 0.947606 0.000757
C -5.780082 0.142737 1.353910
C -4.361682 -2.611208 0.285275
C 3.833492 0.012682 0.116064
C -7.136780 0.788999 -1.009861
C -5.039346 0.534440 -2.374516
C -7.139671 0.456176 1.391946
C -7.816367 0.774392 0.209943
C 5.129285 -0.799362 0.152364
C 6.404469 -0.041097 0.025197
C 6.490398 1.344379 0.230451
C 7.561672 -0.767908 -0.303719
C 7.719125 1.994716 0.098398
C 8.788254 -0.113486 -0.439087
C 8.867230 1.267930 -0.238930
H 0.544967 -2.462065 0.312958
H -0.532009 2.404460 -0.148894
H 1.835948 1.687906 -0.061091
H -5.242100 -0.086522 2.273225
H -4.938472 -2.537551 1.220394
H -3.928291 -3.627296 0.251988
H -5.074584 -2.529966 -0.549854
H 2.881682 -1.887357 0.284378
H 3.800657 0.618863 -0.823146
H 3.816988 0.734970 0.969278
H -7.671075 1.053926 -1.921415
H -4.464109 -0.381308 -2.567903
H -5.702446 0.693935 -3.233157
H -4.315887 1.371473 -2.361915
H -7.668951 0.460940 2.342996
H -8.877037 1.020279 0.241245
H 5.608388 1.924160 0.500958
H 7.490516 -1.850673 -0.448275
H 7.784826 3.070286 0.259580
H 9.681888 -0.681171 -0.697349
H 9.824153 1.780446 -0.343162


%chk=000280030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280030

0 1
O -3.175901 2.058827 -0.055317
O 5.048217 -2.018605 0.085019
N -3.709996 -0.228853 0.102402
N -2.024828 -1.957301 0.107552
N 2.690321 -0.811085 0.027001
C -1.364150 0.436489 0.010002
C -1.029079 -0.958804 0.063473
C -5.125081 0.118173 0.170152
C -2.764631 0.861559 0.011280
C -3.295372 -1.581644 0.126586
C 1.367086 -0.395825 0.018518
C 0.323857 -1.359402 0.065784
C -5.829278 0.463198 -1.014823
C -0.319246 1.395258 -0.042792
C 1.021839 0.999437 -0.037763
C -5.761869 0.110048 1.429382
C -4.365198 -2.648091 0.162643
C 3.832833 0.076381 -0.010292
C -7.206155 0.776572 -0.890125
C -5.128913 0.523778 -2.356721
C -7.133198 0.427688 1.531468
C -7.857377 0.758159 0.363737
C 5.126677 -0.754855 0.028000
C 6.440632 -0.046882 -0.001774
C 6.542492 1.369904 -0.073108
C 7.628006 -0.828358 0.043297
C 7.808535 1.990143 -0.098677
C 8.891258 -0.207131 0.018148
C 8.984542 1.204150 -0.053068
H 0.544340 -2.431218 0.105997
H -0.595108 2.454336 -0.084640
H 1.808692 1.759185 -0.076515
H -5.174747 -0.130070 2.322667
H -4.937537 -2.622916 1.107088
H -3.869627 -3.624894 0.069295
H -5.095626 -2.521557 -0.656768
H 2.924368 -1.808487 0.070427
H 3.844983 0.704903 -0.929088
H 3.842492 0.781685 0.850986
H -7.770017 1.045911 -1.791072
H -4.548063 -0.394231 -2.563428
H -5.852179 0.666713 -3.177070
H -4.415469 1.368579 -2.372577
H -7.626121 0.424829 2.509393
H -8.922263 1.007804 0.429319
H 5.642995 1.993884 -0.109377
H 7.528986 -1.917519 0.097490
H 7.881640 3.081413 -0.153808
H 9.801386 -0.815166 0.053504
H 9.966956 1.688691 -0.072909


