%chk=000298416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298416

0 1
O 3.111924 -0.967585 -0.309627
O 3.695813 1.244652 -0.016706
N -0.336648 0.327927 -0.011062
N -2.104950 -2.650500 -0.350001
C -1.792267 -0.046440 -0.019860
C 2.559984 0.349360 -0.089571
C 0.437468 -0.294432 1.117460
C 0.368400 0.036494 -1.306181
C 1.796944 0.406240 1.235972
C 1.729094 0.745170 -1.308197
C -2.504554 0.702207 -1.179738
C -2.432436 0.374455 1.331714
C -4.020941 0.483810 -1.160058
C -3.949004 0.157097 1.342585
C -4.630215 0.897155 0.185089
C -1.970574 -1.513441 -0.206127
C 4.516480 -0.981084 0.024947
C 4.915487 0.493605 0.167953
H 0.591030 -1.388544 0.972361
H -0.125472 -0.167362 2.067900
H -0.242222 0.415485 -2.154738
H 0.515089 -1.055704 -1.472007
H 1.660053 1.472388 1.514856
H 2.393976 -0.055255 2.043090
H 2.283870 0.503406 -2.235559
H 1.596245 1.847766 -1.298154
H -2.091907 0.386415 -2.158014
H -2.274440 1.784030 -1.085841
H -2.199958 1.445870 1.505265
H -1.966913 -0.178288 2.171233
H -4.254329 -0.579757 -1.367892
H -4.487850 1.061484 -1.980629
H -4.364563 0.501491 2.308869
H -4.178096 -0.925879 1.283395
H -4.529092 1.990739 0.324931
H -5.716327 0.687141 0.188870
H 5.003274 -1.504967 -0.813972
H 4.623513 -1.563209 0.954435
H 5.301437 0.757810 1.165585
H 5.600177 0.854450 -0.617177


%chk=000298416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298416

0 1
O 3.042074 -0.984674 -0.243262
O 3.858167 1.206276 0.198065
N -0.340567 0.387827 0.037219
N -1.878404 -2.699734 -0.437796
C -1.785657 -0.035926 -0.021871
C 2.609807 0.414431 0.030831
C 0.433364 -0.204003 1.173192
C 0.421788 0.187076 -1.235100
C 1.798147 0.497481 1.328387
C 1.787543 0.903584 -1.164311
C -2.522003 0.711229 -1.184015
C -2.505736 0.318995 1.322131
C -4.048257 0.464780 -1.207050
C -4.031664 0.073555 1.289722
C -4.711560 0.838016 0.135000
C -1.885975 -1.518923 -0.253730
C 4.461921 -1.072962 0.159293
C 4.990357 0.331126 -0.180043
H 0.599916 -1.296537 1.019152
H -0.128781 -0.073391 2.109969
H -0.146584 0.612755 -2.075729
H 0.584418 -0.897076 -1.441327
H 1.647384 1.564155 1.575152
H 2.368590 0.029843 2.151421
H 2.352223 0.725733 -2.096674
H 1.629786 1.990842 -1.047900
H -2.105109 0.411624 -2.161058
H -2.307616 1.788697 -1.041324
H -2.291103 1.389224 1.511856
H -2.076442 -0.263020 2.155689
H -4.246867 -0.602301 -1.432151
H -4.488546 1.051271 -2.035989
H -4.459632 0.377844 2.263992
H -4.229168 -1.011664 1.180343
H -4.615668 1.930214 0.305563
H -5.793558 0.608340 0.105950
H 4.915737 -1.885617 -0.429029
H 4.551128 -1.289062 1.242688
H 5.860576 0.644533 0.418617
H 5.213473 0.429640 -1.260473


