%chk=000027543.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027543

0 1
 O    4.142500      0.8451000      0.1156000    
 N  -0.7169000      -1.683000     -7.0799999E-02
 N   -3.796400       1.536600      0.1294000    
 C  -0.8255000      0.5304000     -0.3002000    
 C   -1.574300     -0.6305000     -0.2528000    
 C   -1.384700       1.900800     -0.4918000    
 C   -3.047100     -0.8118000     -0.3696000    
 C   0.5461000      0.1543000     -0.1393000    
 C   0.5807000      -1.234400      3.3000000E-03
 C   -2.542300       2.225700      0.4575000    
 C   -3.824700      0.1311000      0.5523000    
 C    1.765800      0.8630000     -0.1016000    
 C   -1.097100      -3.078500      2.2800000E-02
 C    1.770700      -1.949100      0.1831000    
 C    2.963900      0.1622000      7.7799998E-02
 C    2.963900      -1.223300      0.2182000    
 C    4.075400       2.261600     -3.4000002E-02
 H  -0.5957000       2.644900     -0.3303000    
 H   -1.707000       2.017100      -1.534500    
 H   -3.347600     -0.6505000      -1.412700    
 H   -3.350100      -1.833900     -0.1198000    
 H   -2.261900       2.052100       1.504000    
 H   -2.740500       3.300900      0.3678000    
 H   -4.875000     -0.1852000      0.5265000    
 H   -3.500100      2.9100001E-02   1.595500    
 H   -4.552700       2.021600      0.6144000    
 H    1.709700       1.938500     -0.2161000    
 H   -1.633600      -3.221700      0.9645000    
 H   -1.736800      -3.321900     -0.8299000    
 H  -0.2242000      -3.730700     -5.5999998E-03
 H    1.792400      -3.026900      0.2974000    
 H    3.902400      -1.754700      0.3579000    
 H    3.519900       2.728100      0.7867000    
 H    3.683600       2.545500      -1.016700    
 H    5.101300       2.640700      2.0700000E-02


%chk=000027543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027543

0 1
O 4.229591 0.838461 0.092375
N -0.731214 -1.755495 -0.064536
N -3.842593 1.540224 0.111211
C -0.860146 0.529912 -0.256138
C -1.607943 -0.656412 -0.216261
C -1.406724 1.927467 -0.439516
C -3.101051 -0.832605 -0.339280
C 0.532884 0.158452 -0.121223
C 0.587314 -1.272996 0.002023
C -2.609275 2.278349 0.470555
C -3.924349 0.132777 0.553482
C 1.739409 0.913993 -0.097187
C -1.122017 -3.162016 0.034790
C 1.814613 -1.957270 0.155892
C 2.957882 0.222177 0.052827
C 2.997658 -1.199963 0.179912
C 4.267012 2.291522 -0.042033
H -0.599406 2.657875 -0.234244
H -1.728214 2.090532 -1.488591
H -3.421078 -0.662917 -1.387474
H -3.385876 -1.868847 -0.074583
H -2.312526 2.102011 1.534271
H -2.828850 3.357648 0.358611
H -4.986711 -0.172782 0.496519
H -3.591265 0.002523 1.613354
H -4.685713 2.064939 0.369118
H 1.708225 2.003285 -0.196163
H -1.657293 -3.376664 0.979661
H -1.766916 -3.459269 -0.811714
H -0.217722 -3.789380 0.004516
H 1.866554 -3.046837 0.256753
H 3.974766 -1.678282 0.295810
H 3.717268 2.790319 0.781641
H 3.845249 2.620500 -1.013234
H 5.332556 2.561968 0.008558


