%chk=000253718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253718

0 1
O -4.067981 1.244126 -2.157663
N -0.693035 -0.058328 -0.163763
N -3.981255 0.857615 0.915593
N -2.064930 0.148810 1.945993
N -1.848568 0.574039 -2.193464
C 0.573368 -0.447844 0.535790
C 1.447934 0.792389 0.621524
C 1.234362 -1.654819 -0.108408
C -1.850191 0.232676 0.570673
C -3.028880 0.673465 -0.090387
C -0.775129 0.171382 -1.561402
C 1.431899 1.542905 1.806021
C 2.620455 -1.834980 0.018380
C 2.230419 1.216942 -0.461799
C 0.469912 -2.639725 -0.751491
C -3.094215 0.873343 -1.546174
C -3.365434 0.532326 2.123279
C 2.204674 2.703149 1.908611
C 3.235347 -2.968396 -0.519726
C 2.999670 2.378401 -0.355132
C 1.089446 -3.770245 -1.291656
C 2.989357 3.121986 0.829775
C 2.473110 -3.935914 -1.181391
H 0.285085 -0.773568 1.586348
H 0.150165 -0.035705 -2.129619
H 0.808226 1.229275 2.645378
H 3.227084 -1.094331 0.541737
H 2.247677 0.640256 -1.385951
H -0.613338 -2.540990 -0.828060
H -4.923725 1.169453 0.751683
H -3.858992 0.578369 3.086436
H 2.190760 3.283269 2.830480
H 4.312482 -3.097753 -0.420202
H 3.606194 2.706424 -1.198428
H 0.488265 -4.525974 -1.796616
H 3.589012 4.027424 0.910137
H 2.953972 -4.816651 -1.603803


%chk=000253718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253718

0 1
O -4.187323 1.278850 -2.121271
N -0.703741 -0.035034 -0.214233
N -3.950175 0.781252 0.939223
N -2.012982 0.080859 1.910961
N -1.901559 0.622429 -2.230965
C 0.584962 -0.403620 0.472648
C 1.477549 0.838628 0.599043
C 1.238202 -1.644543 -0.159075
C -1.848979 0.212964 0.534481
C -3.024981 0.649146 -0.101352
C -0.818927 0.211393 -1.586481
C 1.434245 1.593093 1.797181
C 2.627277 -1.877747 0.006765
C 2.300251 1.284819 -0.466262
C 0.453846 -2.640304 -0.795597
C -3.133071 0.889891 -1.535203
C -3.306387 0.434337 2.117034
C 2.199753 2.773135 1.932208
C 3.220403 -3.067441 -0.469960
C 3.061367 2.465710 -0.335233
C 1.047464 -3.827520 -1.277152
C 3.014881 3.213618 0.864966
C 2.434583 -4.046449 -1.118580
H 0.260921 -0.683986 1.494303
H 0.091883 0.022730 -2.163540
H 0.789536 1.258870 2.619238
H 3.247439 -1.129623 0.511415
H 2.356958 0.706099 -1.395706
H -0.625031 -2.494780 -0.915598
H -4.916004 1.085824 0.815127
H -3.792181 0.448949 3.089108
H 2.158296 3.346247 2.864905
H 4.295639 -3.228202 -0.334161
H 3.690878 2.802112 -1.166325
H 0.425496 -4.580981 -1.772715
H 3.607501 4.129583 0.965542
H 2.895210 -4.967506 -1.492034


