%chk=000137215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137215

0 1
 O   4.1000000E-03  -2.428200      9.6000005E-03
 N  -0.7616000     -0.4191000     -0.8694000    
 N   0.7565000     -0.4071000      0.8656000    
 C   -3.720500      0.1048000     -0.8915000    
 C    3.720200      0.1103000      0.8908000    
 C   -5.165400     -8.5600004E-02 -0.4195000    
 C    5.164900     -8.3700001E-02  0.4195000    
 C   -3.053000      -1.197300      -1.346600    
 C    3.051000      -1.189500       1.350000    
 C   -5.811400       1.199900      0.1018000    
 C    5.812700       1.199200     -0.1061000    
 C   -1.635600     -0.9731000      -1.866800    
 C    1.633900     -0.9617000       1.869500    
 C   -7.253500      0.9527000      0.5469000    
 C    7.254500      0.9487000     -0.5503000    
 C   6.9999998E-04  -1.197800      3.7000000E-03
 C   -7.890100       2.217100       1.102100    
 C    7.892700       2.210400      -1.109500    
 H   -3.707400      0.8277000      -1.716500    
 H   -3.141700      0.5479000     -7.2200000E-02
 H    3.708100      0.8359000       1.713600    
 H    3.142000      0.5515000      7.0100002E-02
 H   -5.184400     -0.8437000      0.3734000    
 H   -5.762500     -0.4820000      -1.250200    
 H    5.761400     -0.4781000       1.251400    
 H    5.182900     -0.8444000     -0.3710000    
 H   -3.653500      -1.655600      -2.141200    
 H   -3.032500      -1.904700     -0.5086000    
 H    3.650900      -1.646100       2.146100    
 H    3.029300      -1.899500      0.5143000    
 H   -5.793300       1.964700     -0.6837000    
 H   -5.225500       1.587000      0.9442000    
 H    5.227300       1.584400     -0.9498000    
 H    5.795500       1.966700      0.6770000    
 H   -1.645100     -0.2792000      -2.713900    
 H   -1.219700      -1.924100      -2.217200    
 H    1.643600     -0.2630000       2.712800    
 H    1.215800      -1.910000       2.224200    
 H   -7.277600      0.1724000       1.316400    
 H   -7.848000      0.5916000     -0.3004000    
 H    7.277500      0.1659000      -1.317400    
 H    7.848300      0.5894000      0.2982000    
 H  -0.6995000      0.5916000     -0.7934000    
 H   0.6931000      0.6029000      0.7835000    
 H   -7.337800       2.584600       1.973000    
 H   -8.920500       2.017800       1.412700    
 H   -7.909700       3.010000      0.3476000    
 H    7.340900       2.575900      -1.981400    
 H    8.922900       2.008800      -1.419400    
 H    7.913400       3.005700     -0.3575000    


%chk=000137215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137215

0 1
O -0.003642 -2.524213 0.006352
N -0.844746 -0.501575 -0.824778
N 0.843472 -0.496845 0.819978
C -3.930401 0.061489 -0.829770
C 3.929151 0.066343 0.827516
C -5.357195 -0.097967 -0.257205
C 5.357229 -0.096553 0.259076
C -3.235050 -1.290264 -1.104590
C 3.233227 -1.283762 1.108905
C -6.063449 1.247990 0.021097
C 6.064104 1.247679 -0.025802
C -1.817259 -1.160119 -1.710936
C 1.814280 -1.150240 1.711819
C -7.490998 1.082710 0.591038
C 7.492969 1.078913 -0.591461
C -0.001674 -1.252321 0.000810
C -8.190886 2.430921 0.867486
C 8.193550 2.425396 -0.874449
H -3.978252 0.650601 -1.771040
H -3.321673 0.654477 -0.114919
H 3.974897 0.661085 1.765331
H 3.322107 0.655063 0.107702
H -5.308774 -0.688407 0.681522
H -5.970090 -0.693343 -0.966084
H 5.968531 -0.687605 0.972926
H 5.310894 -0.692695 -0.676148
H -3.855921 -1.883778 -1.807477
H -3.163986 -1.877469 -0.168339
H 3.852809 -1.873055 1.816459
H 3.164112 -1.876424 0.175934
H -6.111622 1.839456 -0.917669
H -5.453517 1.843861 0.732507
H 5.455812 1.839215 -0.742220
H 6.110152 1.844852 0.909447
H -1.864038 -0.598421 -2.665423
H -1.414816 -2.165632 -1.923181
H 1.859227 -0.583415 2.663373
H 1.411200 -2.154505 1.928671
H -7.442380 0.491169 1.528121
H -8.099552 0.487444 -0.120101
H 7.446481 0.481674 -1.525027
H 8.099849 0.487969 0.124697
H -0.884254 0.513357 -0.728362
H 0.885897 0.517097 0.714702
H -7.617688 3.032301 1.598471
H -9.208241 2.284206 1.274790
H -8.280891 3.028364 -0.059695
H 7.622174 3.022306 -1.610508
H 9.211901 2.276182 -1.278339
H 8.281268 3.028486 0.049289


