%chk=000072119.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072119

0 1
 O    7.098000      -1.467400      0.4306000    
 N    4.704700     -0.1660000     -0.3937000    
 N    1.200600       1.017000     -6.6399999E-02
 N  -0.4918000     -0.6315000     -0.2386000    
 N   -1.801500     -0.9984000     -0.2279000    
 N  -0.4844000       4.137700      0.5163000    
 C    4.697000      -1.197900      0.6524000    
 C    6.000500      0.5270000     -0.4078000    
 C    3.611100      0.7828000     -0.1947000    
 C    5.853800      -2.168400      0.4314000    
 C    7.126100     -0.4844000     -0.6048000    
 C    2.268400      6.7800000E-02 -0.2728000    
 C  -0.1419000      0.6733000     -5.0299998E-02
 C   -1.115500       1.650900      0.1557000    
 C   -2.747100     -5.5700000E-02 -2.8899999E-02
 C   -2.448000       1.277600      0.1665000    
 C   -4.107300     -0.5340000     -3.2900002E-02
 C   -5.144200      0.3007000     -0.4584000    
 C   -4.395800      -1.834600      0.3884000    
 C  -0.7671000       3.023800      0.3548000    
 C   -6.460100     -0.1619000     -0.4624000    
 C   -5.711700      -2.297400      0.3844000    
 C   -6.743800      -1.461000     -4.1000001E-02
 H    3.792000      -1.809800      0.6311000    
 H    4.785900     -0.7399000       1.645900    
 H    6.154800       1.064600      0.5369000    
 H    6.033000       1.257600      -1.224000    
 H    3.706200       1.305600      0.7668000    
 H    3.645200       1.551900     -0.9775000    
 H    5.886700      -2.901400       1.244000    
 H    5.745100      -2.721600     -0.5096000    
 H    7.059500     -0.9792000      -1.581500    
 H    8.095200      2.2399999E-02 -0.5560000    
 H    2.154700     -0.4187000      -1.249300    
 H    2.164700     -0.6933000      0.5046000    
 H    1.422900       1.994500     -0.2223000    
 H   -3.213800       2.025200      0.3501000    
 H   -4.965900       1.310300     -0.8190000    
 H   -3.616700      -2.508800      0.7363000    
 H   -7.263400      0.4869000     -0.7990000    
 H   -5.933400      -3.308200      0.7144000    
 H   -7.768300      -1.821500     -4.5000002E-02


%chk=000072119-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072119

0 1
O 6.097119 -2.231333 0.914972
N 4.323985 -0.144771 -0.048774
N 1.337172 1.759528 -1.425982
N 0.042532 -0.049791 -0.659442
N -1.137556 -0.590354 -0.267309
N -0.830366 4.624428 -1.788953
C 3.836305 -1.535754 0.161155
C 5.424892 0.160355 0.900906
C 3.232677 0.852655 -0.040568
C 4.996536 -2.526478 -0.019796
C 6.567289 -0.851952 0.708099
C 2.552844 0.924378 -1.433028
C 0.111441 1.287161 -1.033907
C -1.069852 2.120304 -1.024994
C -2.296548 0.166933 -0.224116
C -2.278419 1.533931 -0.611664
C -3.522611 -0.539377 0.233957
C -4.719286 0.162819 0.545998
C -3.509477 -1.955328 0.371850
C -0.976568 3.488488 -1.437068
C -5.870891 -0.530978 0.974252
C -4.660431 -2.645785 0.800898
C -5.848846 -1.938790 1.102303
H 3.034149 -1.763951 -0.563600
H 3.405650 -1.656472 1.186132
H 5.078994 0.118405 1.964161
H 5.802212 1.181427 0.701844
H 2.453237 0.620880 0.723410
H 3.657472 1.843475 0.209591
H 4.681191 -3.556606 0.213952
H 5.370067 -2.476106 -1.065366
H 6.982964 -0.747259 -0.317612
H 7.366874 -0.697855 1.451606
H 3.260997 1.337579 -2.171441
H 2.268748 -0.090436 -1.754255
H 1.415310 2.746378 -1.679627
H -3.189719 2.136144 -0.612068
H -4.762646 1.255530 0.475270
H -2.583956 -2.489464 0.139573
H -6.782621 0.027627 1.213102
H -4.632697 -3.736686 0.898741
H -6.743770 -2.476299 1.434599


