%chk=000040406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040406

0 1
 O    1.206600      0.6305000      -1.445200    
 O   -1.546700      0.4194000      -1.423000    
 N   0.2225000      -3.565500      0.3535000    
 N    2.114400       1.143600      0.6530000    
 N   -2.488400      0.7902000      0.6902000    
 C  -1.6500000E-02  -1.209700      0.9928000    
 C   0.1183000      -2.205100     -0.1645000    
 C  -0.1336000      0.2589000      0.5346000    
 C    1.586100      -3.838900      0.8094000    
 C  -0.1771000      -4.536100     -0.6663000    
 C    1.127000      0.6967000     -0.2224000    
 C   -1.458400      0.4982000     -0.2015000    
 C    1.695400      -5.229700       1.410900    
 C   0.7457000      -4.477100      -1.871800    
 C    3.405300       1.623800      0.3270000    
 C   -3.842500       1.067200      0.3856000    
 C    4.273700       2.032000       1.339500    
 C   -4.746300       1.341100       1.412200    
 C    3.809700       1.688400      -1.006500    
 C   -4.273400       1.067100     -0.9412000    
 C    5.546100       2.504900       1.018700    
 C   -6.080800       1.614500       1.112200    
 C    5.082300       2.161200      -1.327200    
 C   -5.607900       1.340800      -1.241100    
 C    5.950300       2.569400     -0.3146000    
 C   -6.511600       1.614400     -0.2143000    
 H  -0.8990000      -1.472100       1.591400    
 H   0.8474000      -1.280200       1.663200    
 H   0.9763000      -1.942800     -0.7936000    
 H  -0.7799000      -2.109100     -0.7868000    
 H  -0.1757000      0.8767000       1.444000    
 H    2.353500      -3.690700      4.1400000E-02
 H    1.844000      -3.145000       1.617300    
 H  -0.2284000      -5.554900     -0.2678000    
 H   -1.204100      -4.320700     -0.9895000    
 H    2.644900      -5.321800       1.950300    
 H    1.688800      -6.018200      0.6525000    
 H   0.8933000      -5.424000       2.131400    
 H   0.3577000      -5.157900      -2.639400    
 H    1.762000      -4.818900      -1.657500    
 H   0.7921000      -3.490700      -2.341500    
 H    1.906500       1.125600       1.648900    
 H   -2.264200      0.8057000       1.682700    
 H    3.971400       1.986700       2.382700    
 H   -4.423900       1.344500       2.450300    
 H    3.196600       1.392400      -1.845800    
 H   -3.636100      0.8659000      -1.790500    
 H    6.222100       2.822800       1.807100    
 H   -6.784500       1.827700       1.911600    
 H    5.398400       2.212300      -2.365200    
 H   -5.944900       1.341200      -2.273800    
 H    6.941100       2.937600     -0.5644000    
 H   -7.550600       1.827600     -0.4479000    


%chk=000040406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040406

0 1
O 0.670630 1.038556 -0.234575
O -2.453876 -0.278674 2.425606
N 0.350005 -3.661317 0.002298
N 2.029773 0.975904 1.669951
N -1.961234 0.623120 0.302862
C 0.181053 -1.724118 1.559626
C -0.105076 -2.254047 0.134874
C -0.119369 -0.193261 1.768075
C 1.783749 -3.765572 -0.368299
C -0.573175 -4.528807 -0.772585
C 0.872256 0.667941 0.973499
C -1.630018 0.069369 1.523048
C 2.374329 -5.169219 -0.138247
C -0.690097 -4.228716 -2.292804
C 3.186960 1.692791 1.235696
C -3.253081 0.931756 -0.206724
C 4.237796 1.850097 2.179433
C -3.312137 1.513431 -1.503430
C 3.319601 2.240053 -0.067777
C -4.456322 0.687879 0.509943
C 5.410247 2.547160 1.826641
C -4.555005 1.845733 -2.077724
C 4.501201 2.935855 -0.404402
C -5.693273 1.027232 -0.080595
C 5.549442 3.095516 0.530052
C -5.756231 1.604503 -1.369543
H -0.441025 -2.286215 2.278391
H 1.239680 -1.918358 1.821661
H 0.365241 -1.587061 -0.625060
H -1.195103 -2.217316 -0.046255
H 0.013487 0.004041 2.849610
H 1.968007 -3.452310 -1.427358
H 2.338691 -3.044552 0.262365
H -0.260739 -5.579972 -0.630446
H -1.573057 -4.440493 -0.306482
H 3.466179 -5.156403 -0.311589
H 1.939500 -5.920292 -0.821911
H 2.184838 -5.496934 0.899291
H -1.427894 -4.908150 -2.758898
H 0.274424 -4.371190 -2.813787
H -1.026249 -3.190850 -2.472094
H 2.068538 0.639779 2.635820
H -1.141590 0.852511 -0.293525
H 4.136809 1.428998 3.188536
H -2.382712 1.705616 -2.053927
H 2.508850 2.118098 -0.787114
H -4.405120 0.245367 1.506431
H 6.212561 2.662161 2.563385
H -4.585279 2.293770 -3.077231
H 4.598811 3.357475 -1.410950
H -6.617156 0.837357 0.477676
H 6.459774 3.638289 0.255003
H -6.722614 1.863365 -1.815338


