%chk=000063448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063448

0 1
 O  -1.6300000E-02  -2.159400      0.1546000    
 N   0.2738000      0.1781000      0.1915000    
 N   -1.650000       1.575400      0.1081000    
 C    1.705400      5.4299999E-02  0.1648000    
 C   -1.940500     -0.8514000      0.1116000    
 C   -2.464800      0.4400000      5.6100000E-02
 C  -0.3643000       1.420800      0.1900000    
 C  -0.4733000      -1.018800      0.1746000    
 C    2.388900      2.2900000E-02  -1.045100    
 C   -3.852200      0.6050000     -2.9100001E-02
 C    2.392900     -3.3100002E-02   1.370100    
 C    3.778600     -9.7599998E-02  -1.050100    
 C    4.475300     -0.1858000      0.1551000    
 C   -2.785300      -1.967400      8.2199998E-02
 C    3.782500     -0.1535000       1.365200    
 C   0.4437000       2.692600      0.3487000    
 C   -4.699100     -0.5039000     -5.9000000E-02
 C    1.668400      0.1155000      -2.351000    
 C   -4.165400      -1.789200     -2.0999999E-03
 C   -4.459400       1.970200     -8.6499996E-02
 C    5.961100     -0.3146000      0.1502000    
 H    1.862100     -8.9999996E-03   2.318100    
 H    4.323700     -0.1251000      -1.990700    
 H   -2.389200      -2.978200      0.1214000    
 H    4.313400     -0.2231000       2.310900    
 H    1.167300       2.781300     -0.4658000    
 H   0.9817000       2.669900       1.300500    
 H  -0.2085000       3.570600      0.3342000    
 H   -5.777100     -0.3828000     -0.1246000    
 H    2.359200      7.3399998E-02  -3.200300    
 H   0.9674000     -0.7178000      -2.464000    
 H    1.122400       1.061100      -2.426200    
 H   -4.823900      -2.652500     -2.5300000E-02
 H   -4.223400       2.530900      0.8241000    
 H   -4.083900       2.519100     -0.9565000    
 H   -5.550700       1.929800     -0.1730000    
 H    6.246400      -1.368500      7.2899997E-02
 H    6.400500      0.2320000     -0.6911000    
 H    6.398700      9.9900000E-02   1.064700    


%chk=000063448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063448

0 1
O 0.085344 -2.127428 -0.243880
N 0.239554 0.200092 0.053251
N -1.708554 1.613372 0.172965
C 1.694320 0.089154 0.094434
C -1.972817 -0.840723 -0.064069
C -2.526681 0.471438 0.077176
C -0.392508 1.460887 0.160109
C -0.510040 -1.020428 -0.099134
C 2.432160 -0.070029 -1.108338
C -3.949494 0.648215 0.115536
C 2.342471 0.130058 1.345658
C 3.841174 -0.164315 -1.005326
C 4.518753 -0.119868 0.239687
C -2.818424 -1.974997 -0.171456
C 3.747005 0.031270 1.419396
C 0.485148 2.687019 0.249935
C -4.762153 -0.498295 0.009350
C 1.736361 -0.161943 -2.451194
C -4.209737 -1.801746 -0.133417
C -4.540680 2.033472 0.266803
C 6.028986 -0.264355 0.307755
H 1.742492 0.226604 2.257359
H 4.426423 -0.285283 -1.925814
H -2.356485 -2.961405 -0.279583
H 4.244280 0.063477 2.395731
H 1.223699 2.721320 -0.570834
H 1.057265 2.712655 1.194509
H -0.165754 3.571593 0.201617
H -5.851721 -0.377288 0.037221
H 2.464176 -0.137020 -3.279389
H 1.168126 -1.108247 -2.520080
H 1.014209 0.662009 -2.602380
H -4.875527 -2.667707 -0.213119
H -4.198550 2.509371 1.203182
H -4.207682 2.697238 -0.550879
H -5.643564 1.995623 0.269275
H 6.321012 -1.331664 0.350680
H 6.519956 0.173166 -0.579397
H 6.443556 0.225810 1.205859


