%chk=000176007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176007

0 1
 O    3.973400      0.1911000     -0.9401000    
 O    3.667600      -2.026100     -4.4799998E-02
 N  -0.9536000       2.464800     -0.3491000    
 C   -1.689300      0.4034000      0.9554000    
 C  -0.6097000       1.490400      0.6745000    
 C  -0.9073000     -0.7805000       1.574700    
 C   0.5993000      0.6462000      0.3708000    
 C   -2.461900     -6.5399997E-02 -0.2877000    
 C   0.4258000     -0.6531000      0.8989000    
 C   -3.489300      -1.139000      6.6299997E-02
 C    1.780000       1.014900     -0.2605000    
 C    1.417900      -1.618200      0.8048000    
 C    2.752100      3.7099998E-02 -0.3565000    
 C    2.577000      -1.235600      0.1581000    
 C   -4.278300      -1.578600      -1.166800    
 C   0.1504000       3.402600     -0.5580000    
 C   -2.172300       3.187300      1.7600000E-02
 C   -5.325700      -2.622900     -0.8150000    
 C    4.543700      -1.118300     -0.7427000    
 H   -2.421200      0.7796000       1.682300    
 H  -0.4020000       2.002700       1.627200    
 H   -1.327300      -1.773700       1.428000    
 H  -0.7715000     -0.6181000       2.650700    
 H   -1.767800     -0.4693000      -1.036100    
 H   -2.988300      0.7556000     -0.7798000    
 H   -3.027100      -2.033700      0.4885000    
 H   -4.182000     -0.7467000      0.8209000    
 H    2.042500       1.989800     -0.6268000    
 H    1.291600      -2.611700       1.216100    
 H   -3.595600      -1.991700      -1.918500    
 H   -4.775500     -0.7131000      -1.620200    
 H   0.7214000       3.130200      -1.449300    
 H   0.7839000       3.566100      0.3212000    
 H  -0.2355000       4.398300     -0.8193000    
 H   -2.475400       3.848100     -0.8033000    
 H   -2.016800       3.808300      0.9087000    
 H   -3.036100       2.550600      0.2183000    
 H   -6.043200      -2.229800     -8.7700002E-02
 H   -4.860600      -3.518100     -0.3900000    
 H   -5.879200      -2.921000      -1.711000    
 H    5.470600      -1.013700     -0.1670000    
 H    4.785100      -1.547100      -1.722100    


%chk=000176007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176007

0 1
O 4.291446 0.343851 -0.664154
O 4.032061 -1.914673 0.096959
N -1.124637 2.401824 -0.254715
C -1.651577 0.251194 0.994757
C -0.598005 1.401957 0.714402
C -0.783598 -0.911719 1.560374
C 0.688474 0.618394 0.394246
C -2.418231 -0.190496 -0.277416
C 0.563415 -0.709988 0.889084
C -3.655770 -1.061993 0.033658
C 1.932750 1.070629 -0.129205
C 1.622867 -1.650124 0.825625
C 2.961828 0.128024 -0.201819
C 2.813373 -1.199503 0.250410
C -4.395068 -1.536658 -1.238785
C -0.160624 3.231136 -0.997846
C -2.183891 3.218253 0.372522
C -5.653964 -2.375105 -0.929014
C 4.904645 -1.008200 -0.695160
H -2.389602 0.587072 1.749244
H -0.407361 1.919264 1.697931
H -1.227016 -1.903845 1.358349
H -0.671827 -0.826928 2.661398
H -1.726202 -0.744316 -0.944784
H -2.723874 0.709520 -0.842530
H -3.364579 -1.952122 0.631078
H -4.360259 -0.482658 0.668419
H 2.112137 2.097501 -0.447744
H 1.520464 -2.667920 1.211600
H -3.697205 -2.130335 -1.863851
H -4.677101 -0.652156 -1.845701
H 0.452878 2.604119 -1.663012
H 0.518407 3.842889 -0.349504
H -0.725642 3.932833 -1.638021
H -2.623324 3.897611 -0.379168
H -1.811818 3.838800 1.228297
H -2.992244 2.570671 0.754637
H -6.382903 -1.790984 -0.335651
H -5.395041 -3.278541 -0.344522
H -6.159894 -2.705645 -1.854974
H 5.897468 -0.963305 -0.222312
H 4.938843 -1.366628 -1.742402


