%chk=000008944.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008944

0 1
 O   -2.950600       1.931900     -0.2039000    
 O   -1.954500       1.532400       1.841800    
 N   0.7107000     -0.8269000      0.3013000    
 N    8.455600      0.4029000      0.2346000    
 C   -2.216000     -0.2609000      0.2330000    
 C   -1.293500     -0.2293000      -1.012500    
 C   -1.531300      -1.136700       1.313500    
 C   0.1641000      0.1124000     -0.6824000    
 C  -5.8300000E-02 -0.7792000       1.547800    
 C   -3.637500     -0.7742000     -5.1700000E-02
 C    2.121500     -0.5379000      0.5577000    
 C   -2.344200       1.160900      0.7430000    
 C    2.942500     -0.6313000     -0.7289000    
 C   -3.983300      -1.177500      -1.338700    
 C   -4.571700     -0.8325000      0.9791000    
 C    4.403400     -0.3573000     -0.4745000    
 C   -5.272700      -1.642800      -1.596700    
 C   -5.861100      -1.297900      0.7210000    
 C   -6.211600      -1.703000     -0.5668000    
 C   -3.136800       3.306300      0.1490000    
 C    4.877500      0.9426000     -0.5620000    
 C    5.248000      -1.410000     -0.1560000    
 C   -3.817300       4.022200     -0.9983000    
 C    6.228700       1.196100     -0.3256000    
 C    6.599200      -1.156600      8.0499999E-02
 C    7.089500      0.1466000     -4.3000001E-03
 H   -1.653300      0.4793000      -1.769600    
 H   -1.280400      -1.219900      -1.489200    
 H   -2.054600      -1.068700       2.275800    
 H   -1.590100      -2.192400       1.011600    
 H   0.2449000       1.150500     -0.3356000    
 H   0.6803000      4.6399999E-02  -1.643400    
 H   0.3488000      -1.516500       2.251700    
 H   4.1800000E-02  0.1973000       2.034500    
 H    2.242800      0.4563000       1.009300    
 H    2.515000      -1.263800       1.281300    
 H    2.628400      9.1499999E-02  -1.488400    
 H    2.827800      -1.622900      -1.186600    
 H   -3.300200      -1.142300      -2.179200    
 H   -4.323000     -0.5164000       1.988200    
 H   -5.547500      -1.955800      -2.599900    
 H   -6.592800      -1.343200       1.522400    
 H   -7.216000      -2.064200     -0.7680000    
 H   -2.162700       3.767000      0.3476000    
 H   -3.760000       3.370800       1.047900    
 H    4.215200       1.767600     -0.8085000    
 H    4.874800      -2.427800     -8.5699998E-02
 H   -4.784800       3.560000      -1.220600    
 H   -3.214100       3.950000      -1.909200    
 H   -3.975800       5.078000     -0.7619000    
 H    6.598500       2.215900     -0.3940000    
 H    7.259700      -1.982900      0.3304000    
 H    9.080000     -0.3576000      0.4682000    
 H    8.811600       1.347600      0.1739000    


%chk=000008944-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008944

0 1
O -2.763548 2.070460 -0.196822
O -2.641116 1.361016 2.008832
N 0.660225 -0.635068 0.133389
N 8.552963 0.353850 0.426740
C -2.314102 -0.300985 0.176638
C -1.459156 -0.216375 -1.115752
C -1.533806 -1.173640 1.209111
C -0.023646 0.264882 -0.827229
C -0.087874 -0.683869 1.416667
C -3.726093 -0.902590 -0.061141
C 2.086692 -0.284523 0.342734
C -2.561383 1.101216 0.783919
C 2.987581 -0.616022 -0.877280
C -4.164016 -1.332378 -1.338579
C -4.614678 -1.043718 1.039190
C 4.457774 -0.371069 -0.572556
C -5.447038 -1.902015 -1.509781
C -5.896099 -1.608502 0.869430
C -6.318612 -2.045280 -0.407896
C -3.125983 3.435936 0.296405
C 5.067181 0.885174 -0.823244
C 5.261490 -1.377328 0.023254
C -3.326221 4.309932 -0.936896
C 6.415734 1.134822 -0.497826
C 6.611288 -1.148825 0.356116
C 7.212953 0.117648 0.101616
H -1.931473 0.458194 -1.850494
H -1.393953 -1.229761 -1.554512
H -2.056933 -1.172430 2.180734
H -1.516771 -2.210543 0.825139
H -0.048476 1.321323 -0.446776
H 0.543516 0.277101 -1.774480
H 0.435609 -1.381389 2.096796
H -0.106406 0.316697 1.919888
H 2.216640 0.796674 0.609901
H 2.453358 -0.869583 1.207871
H 2.680580 -0.004337 -1.746877
H 2.809095 -1.674331 -1.145210
H -3.512200 -1.225871 -2.210234
H -4.306466 -0.694846 2.031725
H -5.764140 -2.231368 -2.506031
H -6.564912 -1.705931 1.732162
H -7.312753 -2.486355 -0.541849
H -2.309319 3.796822 0.947702
H -4.040822 3.348248 0.910033
H 4.476012 1.684752 -1.288589
H 4.823189 -2.363359 0.225282
H -4.134981 3.912320 -1.573405
H -2.402665 4.362035 -1.538755
H -3.598492 5.335864 -0.628233
H 6.858697 2.116440 -0.709284
H 7.207563 -1.950648 0.810065
H 9.120346 -0.371487 0.854129
H 8.980252 1.257119 0.247266


