%chk=000151412.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151412

0 1
 O    3.614100      0.4524000      -1.330300    
 O   0.7808000       1.814900       2.012800    
 N   -2.175200      -2.130200       1.013600    
 N    1.287700       1.303500     -0.1983000    
 N    3.823000      -1.172500      0.3111000    
 C   0.7767000      -1.015300     -0.8240000    
 C    1.673100     -9.2100002E-02  1.4100000E-02
 C  -0.5749000      -1.251500     -0.1919000    
 C   -1.720300     -0.4697000     -0.4052000    
 C   -2.728300      -1.045600      0.3710000    
 C  -0.8558000      -2.259300      0.6714000    
 C    3.131000     -0.2165000     -0.4180000    
 C   -2.024600      0.6714000      -1.173900    
 C   -4.030700     -0.5354000      0.4171000    
 C   -3.322900       1.192700      -1.137600    
 C   -4.309000      0.5970000     -0.3537000    
 C   0.8781000       2.121500      0.8274000    
 C    5.211000      -1.475600      5.6299999E-02
 C   0.5664000       3.510400      0.3381000    
 H   0.6485000     -0.6168000      -1.839100    
 H    1.267800      -1.990100     -0.9491000    
 H    1.593000     -0.3310000       1.081300    
 H  -0.2554000      -3.058900       1.082200    
 H   -2.671800      -2.741800       1.646600    
 H    1.366500       1.681000      -1.138700    
 H   -1.270600       1.147300      -1.794000    
 H   -4.799000     -0.9984000       1.027200    
 H   -3.563400       2.072300      -1.728900    
 H   -5.310900       1.018500     -0.3405000    
 H    3.336800      -1.716300       1.017900    
 H    5.754400     -0.5676000     -0.2177000    
 H    5.262600      -2.194800     -0.7649000    
 H    5.643300      -1.913000      0.9591000    
 H   5.6600001E-02   4.071800       1.126000    
 H    1.496100       4.022600      7.5900003E-02
 H  -8.6999997E-02   3.468500     -0.5382000    


%chk=000151412-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151412

0 1
O 3.017356 -1.204791 -1.880320
O 2.601571 1.110088 2.013992
N -2.773955 -1.640782 1.166198
N 1.119827 0.646538 0.288498
N 4.018319 -0.367312 0.064484
C 0.526621 -1.604792 -0.631067
C 1.589756 -0.747115 0.105472
C -0.875855 -1.440125 -0.099864
C -1.871509 -0.499197 -0.591362
C -3.050576 -0.643753 0.224877
C -1.468087 -2.116314 0.967171
C 2.943048 -0.794665 -0.679075
C -1.882309 0.448038 -1.653194
C -4.214346 0.128677 0.015650
C -3.039696 1.222628 -1.864403
C -4.191748 1.066683 -1.036947
C 1.616927 1.465991 1.275553
C 5.374367 -0.296041 -0.488505
C 0.939837 2.818364 1.442292
H 0.575276 -1.356829 -1.707127
H 0.855620 -2.656451 -0.560147
H 1.773399 -1.149161 1.121144
H -1.057787 -2.903279 1.597936
H -3.421047 -1.979695 1.874422
H 0.306231 0.950063 -0.252855
H -1.018209 0.552274 -2.321648
H -5.105808 0.008682 0.641564
H -3.065475 1.949818 -2.683395
H -5.077617 1.682251 -1.228253
H 3.805310 0.048935 0.989186
H 6.080992 -0.887002 0.122811
H 5.734747 0.748976 -0.532033
H 5.350354 -0.708349 -1.510047
H 0.602073 2.922125 2.487566
H 1.674764 3.620443 1.255041
H 0.075327 2.958477 0.771483


