%chk=000046904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046904

2 1
 O  -0.1799000     -0.8570000      0.3008000    
 N    3.538000      -1.173300      0.2438000    
 N   -3.433600      0.8043000      0.8684000    
 C    2.089700      -1.592200      3.6100000E-02
 C   -2.504400     -0.2936000      0.5004000    
 C    3.843500      4.2100001E-02 -0.6197000    
 C   -4.892700      0.3745000      0.6637000    
 C    1.175600     -0.4589000      0.4583000    
 C   -1.075300      0.1773000      0.6858000    
 C    3.760100     -0.8238000       1.708300    
 C    4.458700      -2.319500     -0.1496000    
 C   -3.254400       1.199200       2.340600    
 C   -3.176400       2.047200      5.7999999E-03
 C    5.301500      0.4339000     -0.4310000    
 C   -5.087900     -5.3599998E-02 -0.7831000    
 C    5.644300       1.680800      -1.245300    
 C   -6.540600     -0.4477000      -1.047200    
 C    7.089700       2.103300      -1.036500    
 C   -6.756000     -0.8431000      -2.499500    
 H    1.899600      -2.495700      0.6279000    
 H    1.952100      -1.846900      -1.021600    
 H   -2.621000     -0.5656000     -0.5518000    
 H   -2.723200      -1.176300       1.112900    
 H    3.621300     -0.2139000      -1.662000    
 H    3.220300      0.8820000     -0.3044000    
 H   -5.087900     -0.4549000       1.353700    
 H   -5.537600       1.220000      0.9300000    
 H    1.312800      0.4279000     -0.1643000    
 H    1.318000     -0.1866000       1.507700    
 H  -0.8643000      0.4153000       1.732200    
 H  -0.8492000       1.051800      6.8999998E-02
 H    3.243800      -1.566900       2.324700    
 H    4.828800     -0.8731000       1.938100    
 H    3.386400      0.1828000       1.916000    
 H    4.419500      -2.445100      -1.235600    
 H    5.478100      -2.127000      0.1936000    
 H    4.095000      -3.227500      0.3426000    
 H   -2.303000       1.717800       2.478900    
 H   -4.068600       1.879700       2.609700    
 H   -3.305100      0.2920000       2.949700    
 H   -2.307500       2.585600      0.3960000    
 H   -2.993000       1.746000      -1.029100    
 H   -4.048600       2.705200      7.2200000E-02
 H    5.978700     -0.3583000     -0.7645000    
 H    5.533600      0.6517000      0.6159000    
 H   -4.488200     -0.9337000      -1.031100    
 H   -4.824000      0.7427000      -1.485200    
 H    4.985700       2.508400     -0.9563000    
 H    5.474600       1.488200      -2.311100    
 H   -7.203900      0.3904000     -0.8034000    
 H   -6.824200      -1.285000     -0.3988000    
 H    7.779100       1.310600      -1.344200    
 H    7.282700       2.338100      1.5200000E-02
 H    7.312700       2.995900      -1.629500    
 H   -6.130400      -1.699500      -2.770600    
 H   -6.514700     -1.4100000E-02  -3.172500    
 H   -7.801600      -1.120800      -2.665100    


%chk=000046904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046904

2 1
O -0.147239 -0.214319 0.416540
N 3.540265 -1.090533 0.206433
N -3.694545 1.035078 0.877162
C 2.006631 -1.071298 0.035342
C -2.463871 0.173521 0.548778
C 4.160629 0.196980 -0.421439
C -4.989249 0.211051 0.547793
C 1.262191 0.112568 0.683444
C -1.100284 0.775280 0.941980
C 3.914338 -1.203775 1.684498
C 4.053697 -2.334906 -0.526763
C -3.740455 1.370366 2.369881
C -3.692999 2.333847 0.071248
C 5.694165 0.232319 -0.508190
C -5.156616 -0.254244 -0.905199
C 6.155700 1.611818 -1.057659
C -6.529437 -0.969524 -1.063280
C 7.690381 1.687186 -1.202448
C -6.750719 -1.477078 -2.503563
H 1.619416 -2.010117 0.466771
H 1.801722 -1.077693 -1.048332
H -2.469181 -0.008271 -0.537022
H -2.599452 -0.793023 1.063187
H 3.714244 0.281531 -1.429324
H 3.799672 1.039166 0.195261
H -4.971048 -0.654153 1.235339
H -5.828763 0.867592 0.839628
H 1.521616 1.083038 0.214956
H 1.438619 0.176168 1.776782
H -0.981097 0.870785 2.040249
H -0.921993 1.763623 0.469731
H 3.370220 -2.052621 2.126802
H 4.995849 -1.378386 1.770103
H 3.655010 -0.270999 2.205719
H 3.845968 -2.231655 -1.602798
H 5.135193 -2.433821 -0.363503
H 3.537764 -3.221444 -0.126972
H -2.907063 2.039023 2.631050
H -4.692193 1.877811 2.588475
H -3.678284 0.437876 2.951509
H -2.877696 2.984076 0.420717
H -3.561413 2.104190 -0.995288
H -4.655710 2.844975 0.224223
H 6.074387 -0.554565 -1.185195
H 6.159629 0.079150 0.484169
H -4.361649 -0.965658 -1.197711
H -5.127976 0.598201 -1.610000
H 5.807851 2.416794 -0.379739
H 5.683440 1.795024 -2.043647
H -7.344044 -0.271083 -0.787863
H -6.587196 -1.822218 -0.357856
H 8.068646 0.916664 -1.898377
H 8.196252 1.548117 -0.229889
H 7.994899 2.670659 -1.598416
H -5.974587 -2.206252 -2.799913
H -6.738104 -0.646213 -3.232187
H -7.728832 -1.979528 -2.590194


