%chk=000068858.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068858

0 1
 O    1.972400      5.0000002E-04   1.233900    
 N   -3.919300     -8.9999998E-04  8.4299996E-02
 C  -0.7408000     -0.6782000      0.4539000    
 C  -0.7411000      0.6776000      0.4541000    
 C   -1.998800      -1.441900      0.8279000    
 C   -1.999400       1.440600      0.8287000    
 C   -3.150500      -1.231200     -0.1649000    
 C   -3.151200       1.230000     -0.1639000    
 C   0.4456000      -1.492000      7.7299997E-02
 C   0.4448000       1.492200      7.7500001E-02
 C   -5.131400     -7.9999998E-04 -0.7419000    
 C    1.737800      -1.145500      0.5049000    
 C    1.737100       1.146300      0.5048000    
 C   0.3095000      -2.659100     -0.6926000    
 C   0.3078000       2.659300     -0.6923000    
 C    2.844700      -1.954200      0.2257000    
 C    2.843600       1.955500      0.2252000    
 C    1.416000      -3.459700     -0.9936000    
 C    1.413800       3.460300     -0.9936000    
 C    2.680700      -3.112000     -0.5275000    
 C    2.678800       3.113200     -0.5280000    
 H   -1.796000      -2.517900      0.8977000    
 H   -2.311300      -1.171200       1.845600    
 H   -2.311600       1.169200       1.846500    
 H   -1.797100       2.516600      0.8991000    
 H   -2.788100      -1.271300      -1.200800    
 H   -3.826800      -2.086900     -3.6600001E-02
 H   -3.828000       2.085200     -3.4699999E-02
 H   -2.789100       1.271200      -1.199800    
 H   -5.750600      0.8760000     -0.5212000    
 H   -5.750100     -0.8781000     -0.5220000    
 H   -4.899700     -1.9999999E-04  -1.813200    
 H  -0.6608000      -2.965800      -1.076800    
 H  -0.6628000       2.965500      -1.076200    
 H    3.833600      -1.677100      0.5801000    
 H    3.832900       1.678800      0.5793000    
 H    1.286100      -4.358900      -1.589000    
 H    1.283300       4.359500      -1.589100    
 H    3.537200      -3.739000     -0.7568000    
 H    3.534800       3.740600     -0.7577000    


%chk=000068858-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068858

0 1
O 2.098113 0.000459 1.160327
N -3.924840 -0.000924 0.003281
C -0.694560 -0.691250 0.473395
C -0.694894 0.690946 0.473466
C -1.989451 -1.426688 0.819610
C -1.990147 1.425722 0.819721
C -3.147993 -1.248101 -0.197889
C -3.148592 1.246636 -0.197806
C 0.469946 -1.535699 0.094109
C 0.469220 1.535989 0.094296
C -5.166603 -0.001198 -0.796973
C 1.810159 -1.195774 0.432001
C 1.809593 1.196652 0.432154
C 0.287157 -2.775140 -0.587660
C 0.285856 2.775435 -0.587310
C 2.901422 -2.036317 0.140148
C 2.900463 2.037744 0.140414
C 1.369106 -3.622876 -0.901159
C 1.367409 3.623721 -0.900692
C 2.683990 -3.262129 -0.525262
C 2.682459 3.263541 -0.524838
H -1.781964 -2.504646 0.929238
H -2.368531 -1.083047 1.802696
H -2.369073 1.081827 1.802778
H -1.783197 2.503776 0.929429
H -2.738997 -1.320869 -1.239784
H -3.859184 -2.086784 -0.067939
H -3.860189 2.084969 -0.067813
H -2.739617 1.319661 -1.239689
H -5.767444 0.892891 -0.550506
H -5.767008 -0.895597 -0.550567
H -4.988277 -0.001118 -1.902364
H -0.723337 -3.070728 -0.890005
H -0.724774 3.070595 -0.889621
H 3.901889 -1.720148 0.450931
H 3.901077 1.722006 0.451162
H 1.186924 -4.563502 -1.431905
H 1.184787 4.564332 -1.431312
H 3.528470 -3.923261 -0.747139
H 3.526631 3.925096 -0.746624


