%chk=000085302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085302

0 1
 O    1.085400       2.573800      -1.393300    
 N   -3.212500     -0.1740000      0.2438000    
 N    1.239600      0.2122000      -1.151200    
 N  -0.7305000       1.237300     -0.6798000    
 C   -4.478200     -0.8887000      4.2500000E-02
 C   -3.199800      0.8456000       1.302400    
 C   -5.628800      9.8499998E-02 -0.1485000    
 C   -4.344900       1.836600       1.106600    
 C   -5.684500       1.121400      0.9796000    
 C   -2.003800     -0.8202000     -4.4000000E-02
 C  -0.8875000     -0.1322000     -0.4655000    
 C   0.3185000     -0.7688000     -0.7529000    
 C   -1.878800      -2.205800      8.6999997E-02
 C   0.6031000       1.485100      -1.113400    
 C   0.4596000      -2.135300     -0.6297000    
 C    2.606600     -2.9400000E-02  -1.535500    
 C  -0.6608000      -2.856200     -0.2026000    
 C    3.540900      3.8199998E-02 -0.3568000    
 C    3.809600      -1.113900      0.3690000    
 C    4.120900       1.251400     -1.3100000E-02
 C    4.675400      -1.051500       1.460900    
 C    4.986700       1.313700       1.078800    
 C    5.264000      0.1622000       1.815700    
 H   -4.683700      -1.533000      0.9064000    
 H   -4.429700      -1.524800     -0.8500000    
 H   -2.261200       1.404400       1.355400    
 H   -3.310800      0.3443000       2.273000    
 H   -6.578000     -0.4462000     -0.2048000    
 H   -5.502300      0.6231000      -1.104000    
 H   -4.162600       2.430100      0.2019000    
 H   -4.377000       2.535800       1.949700    
 H   -6.478600       1.850000      0.7829000    
 H   -5.929900      0.6205000       1.923700    
 H   -2.708300      -2.820800      0.4271000    
 H   -1.454600       1.935500     -0.5675000    
 H    1.380700      -2.652700     -0.8642000    
 H    2.895700      0.7331000      -2.270000    
 H    2.688300     -0.9933000      -2.051400    
 H  -0.5941000      -3.935700     -9.2600003E-02
 H    3.374600      -2.069900      9.8999999E-02
 H    3.913000       2.154600     -0.5795000    
 H    4.894300      -1.948700       2.032600    
 H    5.445300       2.258600       1.355000    
 H    5.938900      0.2106000       2.665200    


%chk=000085302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085302

0 1
O 1.100008 2.514893 -1.838451
N -3.267904 -0.067523 0.139584
N 1.249106 0.199744 -1.214407
N -0.724520 1.227396 -0.941638
C -4.519459 -0.858753 0.176177
C -3.257154 1.027690 1.154271
C -5.741103 0.055099 -0.061674
C -4.442342 1.989650 0.940095
C -5.778893 1.213036 0.961488
C -2.042102 -0.781402 -0.032021
C -0.898188 -0.105666 -0.520357
C 0.354055 -0.758672 -0.693210
C -1.881229 -2.174626 0.221766
C 0.596703 1.448721 -1.386389
C 0.511410 -2.130871 -0.417557
C 2.662237 0.001954 -1.562347
C -0.637890 -2.826051 0.027903
C 3.595158 -0.025970 -0.353070
C 4.389947 -1.162737 -0.072422
C 3.687136 1.108052 0.494255
C 5.264141 -1.172611 1.039791
C 4.556329 1.099424 1.605963
C 5.347678 -0.041620 1.882604
H -4.641428 -1.378977 1.159545
H -4.465547 -1.633882 -0.608604
H -2.295706 1.566553 1.098805
H -3.320860 0.590777 2.181033
H -6.664946 -0.551380 0.001849
H -5.681209 0.468037 -1.087220
H -4.326687 2.500570 -0.036153
H -4.429363 2.766151 1.728642
H -6.625784 1.891042 0.746474
H -5.944886 0.800048 1.978229
H -2.730566 -2.753793 0.596597
H -1.460388 1.920020 -1.055357
H 1.472357 -2.638317 -0.537823
H 2.923794 0.849774 -2.223082
H 2.758275 -0.931850 -2.147042
H -0.561338 -3.896324 0.248911
H 4.329270 -2.042672 -0.726308
H 3.081180 1.994972 0.272390
H 5.874777 -2.058506 1.247916
H 4.622743 1.981078 2.253426
H 6.023388 -0.046979 2.745316


