%chk=000055207.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055207

0 1
 O    1.291100     -0.9389000     -0.9498000    
 N    3.655900       1.649100      0.1887000    
 N   -2.658600     -0.7790000      0.3039000    
 C    2.499800       1.075500     -0.4993000    
 C    4.894100       1.044800     -0.3016000    
 C    3.689200       3.100000      9.2000002E-03
 C    2.435900     -0.4277000     -0.2799000    
 C    6.101800       1.584900      0.4453000    
 C    2.409500       3.745100      0.5136000    
 C   0.7130000      -2.061300     -0.4167000    
 C  -0.6096000      -2.040700      1.4000000E-02
 C    1.471600      -3.223200     -0.3146000    
 C   -1.179900      -3.194200      0.5523000    
 C   0.9011000      -4.376700      0.2237000    
 C  -0.4245000      -4.362100      0.6572000    
 C   -1.416200     -0.8324000     -8.7700002E-02
 C   -3.314400      0.4538000      0.1465000    
 C   -3.998700      0.7259000      -1.034100    
 C   -3.274400       1.393800       1.172000    
 C   -4.649300       1.949900      -1.191100    
 C   -3.925000       2.617600       1.014900    
 C   -4.612300       2.895600     -0.1666000    
 H    1.555200       1.474300     -0.1132000    
 H    2.511800       1.295300      -1.575300    
 H    4.917000     -3.0300001E-02 -0.1055000    
 H    5.026100       1.190700      -1.381000    
 H    4.496800       3.543000      0.6011000    
 H    3.854100       3.380400      -1.038800    
 H    2.393600     -0.6503000      0.7948000    
 H    3.289400     -0.9493000     -0.7196000    
 H    6.362800       2.602500      0.1388000    
 H    5.950500       1.567200       1.530100    
 H    6.976900      0.9614000      0.2285000    
 H    1.567700       3.598600     -0.1703000    
 H    2.131800       3.378500       1.507900    
 H    2.554800       4.828400      0.5966000    
 H    2.502100      -3.253100     -0.6568000    
 H   -2.209700      -3.215500      0.8986000    
 H    1.488400      -5.286800      0.3034000    
 H  -0.8684000      -5.260600       1.075800    
 H  -0.9355000      6.5899998E-02 -0.5175000    
 H   -4.032900     -5.4000001E-03  -1.837200    
 H   -2.741500       1.185200       2.095700    
 H   -5.184500       2.166500      -2.111000    
 H   -3.896400       3.354100       1.812600    
 H   -5.118800       3.848500     -0.2887000    


%chk=000055207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055207

0 1
O 1.043880 -0.290840 0.245246
N 4.143406 1.785938 0.148081
N -2.986911 -0.848575 -0.325111
C 2.693220 1.473450 0.163639
C 4.739205 1.663617 -1.211637
C 4.484944 3.062332 0.830832
C 2.490669 -0.031772 0.384158
C 6.247156 1.350170 -1.185536
C 4.402527 2.959532 2.365379
C 0.586079 -1.608162 0.384316
C -0.819542 -1.810726 0.200493
C 1.435109 -2.700798 0.688305
C -1.337108 -3.127626 0.331583
C 0.889807 -3.997260 0.810725
C -0.497761 -4.216290 0.633200
C -1.700110 -0.677898 -0.121162
C -3.846331 0.257447 -0.560264
C -4.955313 0.052181 -1.427525
C -3.690698 1.526697 0.072108
C -5.858667 1.100763 -1.693612
C -4.609638 2.565855 -0.185038
C -5.691292 2.363719 -1.074826
H 2.200987 2.020014 0.986881
H 2.178877 1.778019 -0.777043
H 4.218070 0.838839 -1.733655
H 4.552910 2.585029 -1.819348
H 5.521883 3.323331 0.552391
H 3.839742 3.903447 0.471297
H 2.839583 -0.320474 1.394318
H 3.049107 -0.621741 -0.370402
H 6.829200 2.154789 -0.700962
H 6.431890 0.415317 -0.628191
H 6.633962 1.233036 -2.215004
H 3.380731 2.714943 2.708984
H 5.082358 2.169723 2.729522
H 4.689899 3.919714 2.833050
H 2.508732 -2.551636 0.831388
H -2.414477 -3.255552 0.184846
H 1.553276 -4.836982 1.046566
H -0.912946 -5.224688 0.729544
H -1.209224 0.309435 -0.205358
H -5.078792 -0.935470 -1.883473
H -2.874185 1.680179 0.787616
H -6.700900 0.932046 -2.374193
H -4.488642 3.532807 0.317045
H -6.403274 3.173119 -1.270274


