%chk=000085751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085751

0 1
 O   -2.808200       1.184300      0.1842000    
 O   -1.286400       1.833700       1.784400    
 N    3.194200     -0.2227000      0.7111000    
 C  -0.5594000      0.3922000     -7.2700001E-02
 C   0.8323000      0.4371000      0.6480000    
 C    1.956100     -0.3349000     -5.5500001E-02
 C  -0.4680000       1.069700      -1.482900    
 C   -1.058900      -1.070500     -0.1150000    
 C   -1.567500       1.223300      0.7598000    
 C    4.098100      -1.327800      0.3907000    
 C    3.845700       1.060800      0.4485000    
 C   -1.218200      -1.787600       1.070900    
 C   -1.350700      -1.673100      -1.338800    
 C   2.4700001E-02   2.494500      -1.483400    
 C    4.507400      -1.295700      -1.072000    
 C    5.102700       1.220000       1.286700    
 C   -1.668900      -3.107000       1.033100    
 C   -1.801500      -2.992500      -1.376500    
 C   -1.960700      -3.709400     -0.1906000    
 C   -3.828100       1.925500      0.8608000    
 C    1.144900       2.900100      -2.092100    
 C   -5.129500       1.779900      0.1014000    
 H   0.7384000      5.7500001E-02   1.675000    
 H    1.117200       1.488300      0.7736000    
 H    2.081900      2.2100000E-02  -1.082700    
 H    1.650300      -1.386200     -0.1164000    
 H   -1.456500       1.085500      -1.962300    
 H   0.1753000      0.4771000      -2.145600    
 H    4.980600      -1.339300       1.039100    
 H    3.595500      -2.280800      0.6022000    
 H    4.063400       1.244700     -0.6096000    
 H    3.180600       1.875900      0.7550000    
 H   -1.010300      -1.337400       2.037300    
 H   -1.249400      -1.163900      -2.290100    
 H  -0.5820000       3.236200     -0.9709000    
 H    3.662900      -1.337700      -1.765600    
 H    5.137600     -0.4395000      -1.327800    
 H    5.113500      -2.185500      -1.282200    
 H    5.436400       2.263400       1.251900    
 H    5.934800      0.6131000      0.9174000    
 H    4.922600      0.9723000       2.338500    
 H   -1.795800      -3.664400       1.956500    
 H   -2.030000      -3.462200      -2.328900    
 H   -2.312700      -4.736500     -0.2200000    
 H   -3.542000       2.982300      0.9057000    
 H   -3.947700       1.536800       1.878200    
 H    1.439400       3.943400      -2.061300    
 H    1.785200       2.206400      -2.625300    
 H   -5.933300       2.335500      0.5924000    
 H   -5.418800      0.7261000      3.1900000E-02
 H   -5.020100       2.147600     -0.9242000    


%chk=000085751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085751

0 1
O -2.779648 1.407720 0.133078
O -1.462024 1.294946 2.039740
N 3.229141 -0.217163 0.566080
C -0.581579 0.370190 -0.108355
C 0.828783 0.513430 0.553447
C 1.953924 -0.234151 -0.195747
C -0.609366 1.018605 -1.532524
C -1.015329 -1.124350 -0.135910
C -1.608493 1.075768 0.814574
C 4.086366 -1.401630 0.305320
C 3.928302 1.091230 0.497075
C -1.113690 -1.834120 1.091890
C -1.302071 -1.820324 -1.336803
C -0.249055 2.488883 -1.540507
C 4.697183 -1.519615 -1.120102
C 5.074502 1.227920 1.517097
C -1.482013 -3.195504 1.117490
C -1.667806 -3.186365 -1.313607
C -1.759537 -3.881644 -0.087952
C -3.885010 1.979066 0.963983
C 0.743436 3.044646 -2.279589
C -5.039512 2.276813 0.013178
H 0.793598 0.133339 1.587861
H 1.062557 1.591906 0.623042
H 2.080117 0.193415 -1.221836
H 1.651969 -1.291105 -0.322708
H -1.629406 0.902479 -1.945820
H 0.085358 0.469457 -2.193736
H 4.902797 -1.409075 1.050892
H 3.472532 -2.299624 0.511127
H 4.318225 1.305648 -0.531826
H 3.178732 1.875035 0.709647
H -0.908249 -1.314293 2.034741
H -1.244960 -1.308742 -2.301776
H -0.875025 3.140666 -0.911307
H 3.908337 -1.555055 -1.893723
H 5.365121 -0.669286 -1.349932
H 5.293484 -2.447617 -1.202164
H 5.467909 2.261159 1.508456
H 5.918502 0.550322 1.294215
H 4.707624 1.000785 2.533799
H -1.552672 -3.719802 2.077217
H -1.881867 -3.704724 -2.255419
H -2.044580 -4.939524 -0.071175
H -3.506688 2.883664 1.473646
H -4.150684 1.235201 1.736891
H 0.937112 4.123191 -2.264139
H 1.389619 2.436116 -2.925276
H -5.891977 2.694478 0.579497
H -5.377007 1.357794 -0.495466
H -4.739886 3.010544 -0.754685


