%chk=000177823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177823

0 1
 O    3.795000      -1.376100     -0.4491000    
 O    3.485300       2.057200      0.3579000    
 N    3.074500     -0.1882000     -0.1581000    
 N    1.083100       1.035200     -0.4504000    
 C   -1.048800     -2.6000001E-02 -4.7100000E-02
 C   0.9815000      -1.276500      0.2502000    
 C  -0.4071000      -1.212400      0.2852000    
 C    1.674100     -0.1351000     -0.1209000    
 C   -2.491900      7.2700001E-02 -2.0000000E-02
 C  -0.2678000       1.059400     -0.4047000    
 C    1.669100      -2.550200      0.6078000    
 C   -3.233000     -0.2278000      -1.162900    
 C   -3.142100      0.4686000       1.148900    
 C   -4.624600     -0.1329000      -1.136800    
 C   -4.533700      0.5638000       1.174800    
 C    3.885000      0.9243000      8.8299997E-02
 C   -5.275100      0.2628000      3.2000002E-02
 C    5.376600      0.6812000      4.9000001E-03
 H  -0.9882000      -2.086900      0.5699000    
 H  -0.7086000       2.014700     -0.6750000    
 H    2.054300      -3.055600     -0.2832000    
 H    2.462400      -2.391400       1.345600    
 H   0.9677000      -3.248900       1.080400    
 H   -2.742000     -0.5378000      -2.082400    
 H   -2.579600      0.7066000       2.048600    
 H   -5.201700     -0.3670000      -2.026600    
 H   -5.040100      0.8720000       2.084800    
 H   -6.358400      0.3368000      5.2299999E-02
 H    5.676500     -7.4000001E-02  0.7368000    
 H    5.648600      0.3568000      -1.003300    
 H    5.912500       1.608900      0.2266000    
 H    3.774000      -1.353200      -1.421400    


%chk=000177823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177823

0 1
O 3.505108 1.146236 -1.262426
O 3.956519 -0.950895 1.617932
N 3.159510 0.095858 -0.307838
N 1.082615 0.986568 -0.716122
C -1.048937 -0.019051 -0.128590
C 1.077131 -1.254167 0.286981
C -0.333580 -1.159222 0.331355
C 1.750166 -0.088260 -0.190290
C -2.532596 0.066633 -0.076729
C -0.269568 1.024064 -0.691784
C 1.770748 -2.548374 0.639283
C -3.342596 -1.094156 -0.219559
C -3.179380 1.318858 0.118456
C -4.749680 -1.006088 -0.169416
C -4.586705 1.408218 0.163819
C 4.194905 -0.278649 0.571811
C -5.379595 0.245911 0.021209
C 5.576086 0.189924 0.158701
H -0.890463 -2.014794 0.729630
H -0.738119 1.893812 -1.162534
H 2.460133 -2.853300 -0.170731
H 2.392091 -2.438200 1.543844
H 1.031811 -3.354092 0.787148
H -2.871716 -2.066959 -0.401915
H -2.576827 2.222397 0.266610
H -5.354768 -1.911603 -0.288981
H -5.063969 2.381597 0.322306
H -6.472218 0.314325 0.058960
H 5.795731 -0.080404 -0.887953
H 5.637763 1.290880 0.218308
H 6.312690 -0.263289 0.838342
H 2.565209 1.577220 -1.346727


