%chk=000008277.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008277

1 1
 O   0.3308000     -0.4883000       2.646500    
 N    3.281100       1.120900     -0.2766000    
 N  -0.8085000       1.478400       2.459100    
 C    2.179400      0.3100000      0.3039000    
 C   0.8408000      0.8665000     -0.1953000    
 C  -0.4412000      0.1512000      0.3905000    
 C    4.646300      0.5809000      0.1692000    
 C    3.230700       1.087600      -1.809600    
 C    3.174400       2.583400      0.1743000    
 C  -0.5460000      -1.346600     -1.4000000E-02
 C   -1.740300      0.8469000     -0.1148000    
 C  -0.2800000      0.3126000       1.938400    
 C    4.807500     -0.8386000     -0.3290000    
 C  -4.7800001E-02  -1.711000      -1.230600    
 C   -2.930000      0.3892000      0.3680000    
 C   -1.129200      -2.203600      0.8730000    
 C   -1.603400       1.868500      -1.006500    
 C  -0.1415000      -3.054600      -1.593500    
 C   -4.093200       1.012100     -8.4100001E-02
 C   -1.222700      -3.547300      0.5101000    
 C   -2.766800       2.491500      -1.458500    
 C  -0.7289000      -3.972600     -0.7232000    
 C   -4.011600       2.063200     -0.9973000    
 H    2.281700      0.3620000       1.391200    
 H    2.280300     -0.7286000     -1.4500000E-02
 H   0.8119000      0.8520000      -1.286500    
 H   0.7728000       1.912800      0.1221000    
 H    5.422800       1.233200     -0.2462000    
 H    4.683200      0.6297000       1.263200    
 H    2.476600       1.795900      -2.165600    
 H    4.204700       1.403300      -2.197200    
 H    2.983300      7.7799998E-02  -2.148900    
 H    3.040400       2.603500       1.259800    
 H    4.106700       3.089600     -9.6500002E-02
 H    2.351000       3.083400     -0.3410000    
 H    5.817400      -1.178900     -6.8800002E-02
 H    4.131000      -1.547800      0.1545000    
 H    4.729100     -0.9455000      -1.413100    
 H   0.3896000      -1.028400      -1.946500    
 H   -3.030400     -0.3978000       1.102800    
 H   -1.538000      -1.912600       1.833200    
 H  -0.6798000       2.256400      -1.410800    
 H  -0.7362000       1.674000       3.452200    
 H   -1.244800       2.200000       1.896000    
 H   0.2370000      -3.385300      -2.556400    
 H   -5.062300      0.6847000      0.2811000    
 H   -1.683400      -4.262100       1.185700    
 H   -2.704800       3.310400      -2.169500    
 H  -0.8039000      -5.018300      -1.006700    
 H   -4.917200       2.549600      -1.347800    


%chk=000008277-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008277

1 1
O 0.845003 1.302210 2.220530
N 3.371493 0.978713 -0.408462
N -1.412891 0.939309 2.541649
C 2.050751 0.194622 -0.215060
C 0.772096 0.998533 -0.533962
C -0.469349 0.461958 0.274135
C 4.555272 0.103204 0.100668
C 3.574815 1.343080 -1.871834
C 3.368271 2.254343 0.444725
C -0.464789 -1.088500 0.194251
C -1.781968 1.072641 -0.287763
C -0.289036 0.941721 1.761928
C 4.673018 -1.293135 -0.519132
C -0.638224 -1.705824 -1.075271
C -2.985666 0.318435 -0.316051
C -0.228279 -1.914953 1.320097
C -1.831419 2.431802 -0.697970
C -0.579757 -3.108246 -1.212949
C -4.196990 0.901496 -0.752480
C -0.172108 -3.322919 1.184552
C -3.039813 3.013672 -1.138621
C -0.345364 -3.925168 -0.080538
C -4.229768 2.251234 -1.167638
H 2.051705 -0.114281 0.840602
H 2.119153 -0.697661 -0.855898
H 0.536014 0.935361 -1.610630
H 0.909495 2.060899 -0.277007
H 5.465631 0.695981 -0.098839
H 4.418470 0.036726 1.193961
H 2.725787 1.954738 -2.209915
H 4.508522 1.918369 -1.972725
H 3.630487 0.426448 -2.476526
H 2.875675 2.032579 1.404133
H 4.409564 2.581494 0.588246
H 2.809853 3.045656 -0.075281
H 5.585945 -1.760010 -0.108625
H 3.830649 -1.953080 -0.257536
H 4.791844 -1.273396 -1.615670
H -0.846706 -1.087378 -1.956866
H -2.977151 -0.735665 -0.018458
H -0.098975 -1.473687 2.314364
H -0.932130 3.056996 -0.666168
H -1.337965 1.235145 3.516014
H -2.333316 0.739657 2.147532
H -0.728239 -3.564693 -2.197532
H -5.111349 0.298962 -0.770894
H 0.000830 -3.945178 2.069151
H -3.054771 4.062875 -1.452563
H -0.308541 -5.014650 -0.183794
H -5.167181 2.702863 -1.508083


