%chk=000081068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081068

0 1
 O    3.019900      0.6849000       1.223500    
 N    1.104500      0.8631000     -0.7390000    
 N    2.086400     -7.7399999E-02 -0.7639000    
 N   -4.135000     -0.6946000      0.5246000    
 C  -0.2125000      0.4715000     -0.4211000    
 C  -0.5562000     -0.8803000     -0.4160000    
 C   -1.171600       1.436100     -0.1124000    
 C   -2.818000     -0.3031000      0.2071000    
 C   -1.858900      -1.267600     -0.1019000    
 C   -2.474300       1.048800      0.2017000    
 C    3.002900     -8.6800002E-02  0.2671000    
 C    4.012700      -1.194600      0.1304000    
 H   0.1585000      -1.662300     -0.6570000    
 H  -0.9158000       2.492600     -0.1132000    
 H   -2.115100      -2.324100     -0.1025000    
 H   -3.212700       1.809900      0.4407000    
 H    1.373200       1.838100     -0.7076000    
 H    2.105900     -0.6957000      -1.567700    
 H   -4.384600      -1.674600      0.5293000    
 H   -4.830700      4.1999999E-03  0.7493000    
 H    4.200800      -1.430300     -0.9210000    
 H    3.636400      -2.086900      0.6379000    
 H    4.956100     -0.8850000      0.5886000    


%chk=000081068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081068

0 1
O 3.001447 0.528290 1.324542
N 1.103787 0.900745 -0.688013
N 2.123900 -0.070011 -0.740146
N -4.265696 -0.664400 0.428126
C -0.227693 0.463662 -0.360808
C -0.598966 -0.901325 -0.324251
C -1.224748 1.447894 -0.137807
C -2.938234 -0.295355 0.168572
C -1.934720 -1.275177 -0.066455
C -2.554828 1.076736 0.131300
C 3.063009 -0.191240 0.282962
C 4.168904 -1.205908 0.021315
H 0.159075 -1.676457 -0.476398
H -0.958324 2.511325 -0.176412
H -2.198601 -2.339878 -0.038269
H -3.306055 1.856098 0.309784
H 1.425241 1.725737 -0.165544
H 2.262154 -0.526090 -1.644187
H -4.532924 -1.642270 0.477597
H -4.973320 0.038250 0.616809
H 4.011317 -1.798756 -0.896699
H 4.227956 -1.891694 0.883021
H 5.139217 -0.684277 -0.052140


