%chk=000084122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084122

0 1
 O    2.073300      0.1345000      -2.812800    
 N   0.3422000     -7.0100002E-02  0.9222000    
 N   -2.682400      -1.376900     -0.3770000    
 N   0.8913000       1.554200      -1.501400    
 C  -0.7776000      -2.267000      0.9349000    
 C  -0.5246000     -0.9669000       1.697400    
 C   -1.408600      -2.082200     -0.4487000    
 C  -8.7099999E-02   1.263600      0.7680000    
 C    1.645800     -0.5297000      0.6574000    
 C   -3.636700      -2.118800      0.4492000    
 C   -3.230400      -1.164100      -1.717900    
 C   0.2010000       2.028200     -0.3722000    
 C    2.324900     -0.2367000     -0.5313000    
 C  -0.8586000       1.884300       1.781300    
 C    2.336400      -1.302600       1.622100    
 C    1.724300      0.4745000      -1.679200    
 C   -4.947300      -1.362700      0.5872000    
 C   -2.255700     -0.3953000      -2.593600    
 C  -0.3084000       3.337900     -0.4937000    
 C    3.641800     -0.7021000     -0.7325000    
 C   -1.336100       3.191000       1.664100    
 C    3.640300      -1.758300       1.419000    
 C   -1.063900       3.919300      0.5193000    
 C    4.296000      -1.454300      0.2382000    
 H   -1.368300      -2.946100       1.559400    
 H   0.1659000      -2.808000      0.7899000    
 H  -0.1285000      -1.163700       2.699600    
 H   -1.514400     -0.5306000       1.875300    
 H   -1.532700      -3.069300     -0.9141000    
 H  -0.6764000      -1.543200      -1.055600    
 H   -3.828100      -3.123600      5.2299999E-02
 H   -3.269700      -2.235100       1.472700    
 H   -3.495800      -2.109900      -2.206600    
 H   -4.134900     -0.5490000      -1.671800    
 H   -1.075300       1.368200       2.714900    
 H    1.887400      -1.545800       2.581300    
 H   0.7656000       2.115900      -2.341000    
 H   -4.784200     -0.3139000      0.8583000    
 H   -5.553800      -1.405600     -0.3226000    
 H   -5.549500      -1.814900       1.383400    
 H   -1.872100      0.4955000      -2.087000    
 H   -1.416100      -1.007900      -2.935100    
 H   -2.772400     -5.2700002E-02  -3.497600    
 H  -0.1109000       3.923900      -1.389800    
 H    4.178500     -0.4817000      -1.653100    
 H   -1.916900       3.632200       2.468500    
 H    4.138900      -2.341100       2.187500    
 H   -1.436400       4.933100      0.4113000    
 H    5.310600      -1.801500      6.9100000E-02


%chk=000084122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084122

0 1
O 2.581013 0.201882 -2.900820
N 0.328259 -0.003546 0.699471
N -2.928393 -1.733396 -0.372996
N 1.028546 1.425685 -1.736688
C -0.830306 -2.231515 0.936877
C -0.656246 -0.798168 1.483125
C -1.533884 -2.250806 -0.439143
C 0.073925 1.404490 0.560031
C 1.682212 -0.465657 0.619641
C -3.884951 -2.760625 0.126117
C -3.375716 -1.115221 -1.653590
C 0.436003 2.097057 -0.629235
C 2.507778 -0.197159 -0.516916
C -0.587174 2.126147 1.587671
C 2.227229 -1.247546 1.677822
C 2.045841 0.468808 -1.777327
C -5.146657 -2.152228 0.768251
C -2.755974 0.272252 -1.904884
C 0.120208 3.470956 -0.771833
C 3.840317 -0.686854 -0.546437
C -0.915035 3.489954 1.434265
C 3.552103 -1.721757 1.632138
C -0.561357 4.168300 0.246596
C 4.375115 -1.434435 0.518013
H -1.425836 -2.803622 1.675624
H 0.146073 -2.744746 0.851795
H -0.406507 -0.824738 2.566651
H -1.634476 -0.297673 1.375322
H -1.502414 -3.287721 -0.855964
H -0.954664 -1.612828 -1.129600
H -4.178615 -3.469223 -0.690021
H -3.361774 -3.367257 0.888740
H -3.162332 -1.788900 -2.522413
H -4.474601 -1.004340 -1.607219
H -0.854626 1.608789 2.514062
H 1.610480 -1.472437 2.552574
H 0.860092 1.840995 -2.659537
H -4.865541 -1.490782 1.606457
H -5.730102 -1.553604 0.045941
H -5.808885 -2.950830 1.152101
H -3.006933 0.959011 -1.077383
H -1.655224 0.227406 -1.983313
H -3.144116 0.698470 -2.849234
H 0.407186 3.987879 -1.695826
H 4.426231 -0.488714 -1.449598
H -1.436962 4.017620 2.239511
H 3.941713 -2.311907 2.469490
H -0.806700 5.227098 0.114789
H 5.406075 -1.799562 0.476102


