%chk=000051631.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051631

0 1
 O   -4.824200     -0.3804000       1.842800    
 N    2.062200       1.570500     -0.2744000    
 N  -0.6747000      0.7422000      0.2252000    
 N    5.766200       1.268500      0.1174000    
 N   -4.381500      0.8045000     -0.1018000    
 C    1.759500      0.2330000      0.3027000    
 C   0.3547000     -0.2466000     -0.1163000    
 C    2.806600     -0.8328000     -0.1420000    
 C   0.9986000       2.535700      3.5100002E-02
 C    3.369400       2.101200      0.1858000    
 C    4.190700     -0.2944000     -5.2900001E-02
 C  -0.3717000       2.026300     -0.4146000    
 C    4.419500       1.056200      7.3899999E-02
 C    5.455300     -0.9408000     -9.8499998E-02
 C   -1.999800      0.2673000     -0.1697000    
 C    6.426600      6.1600000E-02  1.1300000E-02
 C   -3.068600       1.257700      0.2688000    
 C    5.875400      -2.280100     -0.2245000    
 C    7.798400     -0.2155000      4.1000000E-03
 C    7.244600      -2.569400     -0.2336000    
 C    8.189400      -1.551600     -0.1206000    
 C   -5.163400      1.0300000E-02  0.7288000    
 C   -6.486400     -0.3962000      0.1891000    
 C   -7.057500      -1.568600      0.6388000    
 C   -7.101900      0.4120000     -0.7443000    
 C   -8.299800      -1.950200      0.1323000    
 C   -8.344400      3.0300001E-02  -1.250600    
 C   -8.943200      -1.150800     -0.8124000    
 H    1.788300      0.3104000       1.400400    
 H   0.3364000     -0.4598000      -1.194300    
 H   0.1416000      -1.189400      0.4037000    
 H    2.622700      -1.135000      -1.181000    
 H    2.707600      -1.726800      0.4849000    
 H    1.202000       3.482000     -0.4810000    
 H   0.9714000       2.751600       1.112100    
 H    3.311100       2.426400       1.232600    
 H    3.643600       2.968400     -0.4262000    
 H   -1.076200       2.808800     -0.1200000    
 H  -0.4024000       1.944300      -1.509300    
 H   -2.060400      0.1036000      -1.254200    
 H   -2.201000     -0.7009000      0.3067000    
 H    6.216100       2.168500      0.2149000    
 H   -3.034500       1.415100       1.353000    
 H   -2.975400       2.228900     -0.2227000    
 H    5.150500      -3.084300     -0.3134000    
 H    8.535800      0.5756000      9.0999998E-02
 H    7.573300      -3.600700     -0.3301000    
 H    9.247800      -1.799100     -0.1300000    
 H   -4.688300       1.027600      -1.042300    
 H   -6.567600      -2.204700       1.369900    
 H   -6.686900       1.354700      -1.085000    
 H   -8.766000      -2.870300      0.4728000    
 H   -8.849700      0.6564000      -1.980200    
 H   -9.911300      -1.447100      -1.205500    


%chk=000051631-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051631

0 1
O -4.343362 -1.023777 1.318297
N 2.152228 1.663051 -0.442757
N -0.660957 0.983680 -0.158781
N 5.851610 1.227817 0.267512
N -4.465565 0.906216 0.033174
C 1.744965 0.331545 0.112853
C 0.356979 -0.054080 -0.439367
C 2.768961 -0.772424 -0.264276
C 1.109720 2.695063 -0.213805
C 3.453775 2.158235 0.085557
C 4.179326 -0.296432 -0.045837
C -0.246273 2.260989 -0.783289
C 4.468118 1.054495 0.092028
C 5.436323 -1.014949 0.036050
C -2.036511 0.566907 -0.503501
C 6.472806 -0.030008 0.237087
C -3.087914 1.311419 0.359177
C 5.799080 -2.385474 -0.036455
C 7.833385 -0.380397 0.362462
C 7.157168 -2.741407 0.088863
C 8.163510 -1.750531 0.285794
C -5.014803 -0.255224 0.556673
C -6.440918 -0.563818 0.171693
C -6.877861 -1.905139 0.318018
C -7.357784 0.415868 -0.293216
C -8.198366 -2.268311 -0.017731
C -8.681915 0.052821 -0.625232
C -9.103641 -1.290771 -0.495014
H 1.669236 0.391337 1.228826
H 0.461650 -0.237991 -1.539888
H 0.041315 -0.999848 0.037876
H 2.618373 -1.056759 -1.326279
H 2.553150 -1.673869 0.343242
H 1.436350 3.632000 -0.705655
H 0.979868 2.905728 0.878799
H 3.337798 2.569357 1.125965
H 3.782343 3.003915 -0.553677
H -0.994710 3.044079 -0.562726
H -0.165394 2.163709 -1.896284
H -2.266312 0.717087 -1.589246
H -2.143779 -0.511159 -0.289411
H 6.327788 2.118891 0.387805
H -2.893601 1.070817 1.417529
H -3.005455 2.405689 0.228288
H 5.035202 -3.156615 -0.188932
H 8.611520 0.376688 0.513607
H 7.450106 -3.796010 0.034663
H 9.210998 -2.058667 0.379170
H -4.980300 1.430053 -0.674616
H -6.163467 -2.638749 0.705824
H -7.065833 1.471159 -0.361457
H -8.523803 -3.308326 0.094304
H -9.385635 0.816892 -0.973574
H -10.130994 -1.570675 -0.753431


