%chk=000234479.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234479

0 1
O 2.504009 -2.764781 0.458502
O 3.157945 -0.807139 1.050556
N 1.646907 1.346192 0.017380
N -2.890347 0.380183 0.241855
N -0.577892 0.840016 0.071469
N -1.401689 -1.468058 0.150925
N 2.288683 -1.571508 0.633274
C 1.412224 2.813266 -0.207682
C 3.137846 1.496821 0.071970
C 2.948573 3.011705 -0.205177
C -3.398029 1.693251 -0.292830
C -4.110298 -0.367354 -0.230806
C -4.693245 0.972882 -0.748939
C 0.732030 0.367424 0.177821
C -1.591174 -0.075513 0.122300
C 0.989706 -1.043728 0.356423
C -0.148093 -1.928527 0.270926
C -0.005068 -3.407831 0.314698
H 0.857737 3.297660 0.614583
H 0.892944 3.024985 -1.157517
H 3.663464 0.916710 -0.704344
H 3.572583 1.246546 1.060994
H 3.367226 3.357792 -1.157542
H 3.324895 3.669079 0.587875
H -2.786829 2.139677 -1.093758
H -3.515732 2.432051 0.518268
H -4.641888 -0.832020 0.617461
H -3.920245 -1.140211 -0.993616
H -5.605186 1.303121 -0.237628
H -4.880795 1.004702 -1.828236
H 0.639786 -3.771314 -0.506580
H 0.492721 -3.741670 1.242478
H -0.973067 -3.928808 0.245896


%chk=000234479-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234479

0 1
O 2.697255 -2.646827 0.411964
O 2.936949 -0.770888 1.694902
N 1.659414 1.383695 0.191797
N -2.820028 0.332225 -0.261103
N -0.567794 0.849598 0.012712
N -1.375189 -1.475904 -0.026192
N 2.262740 -1.496444 0.840832
C 1.442642 2.820435 -0.144806
C 3.145584 1.458584 0.070611
C 2.998813 2.979668 -0.280251
C -3.404805 1.688102 -0.382812
C -4.102797 -0.394811 -0.422301
C -4.812990 1.004768 -0.555349
C 0.713908 0.406299 0.229786
C -1.544461 -0.099276 -0.082943
C 0.974624 -1.013605 0.400344
C -0.117872 -1.928540 0.215674
C 0.022094 -3.429030 0.326870
H 0.960547 3.387177 0.669908
H 0.857326 2.961706 -1.069874
H 3.552443 0.817444 -0.733048
H 3.667386 1.216790 1.009521
H 3.338754 3.251638 -1.290558
H 3.454858 3.657690 0.456110
H -3.029787 2.251222 -1.256284
H -3.274562 2.307669 0.522032
H -4.380387 -0.998128 0.459474
H -4.133194 -1.039543 -1.317898
H -5.528109 1.229256 0.249758
H -5.289800 1.182813 -1.530481
H 0.617346 -3.831364 -0.510230
H 0.554909 -3.727434 1.246714
H -0.986115 -3.869384 0.316123


