%chk=000037864.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037864

0 1
 O   0.2062000     -0.2104000      0.4644000    
 O  -0.3746000       2.028100      0.4342000    
 N    3.777000      0.6941000      0.3892000    
 C   -2.726100     -0.6059000      0.4144000    
 C   -3.185000      0.8339000      0.3695000    
 C   -1.926200      0.4178000     -0.3453000    
 C   -3.462200      -1.689400     -0.3182000    
 C   -4.349500       1.240700     -0.4262000    
 C  -0.6212000      0.8489000      0.2251000    
 C   -4.928400      -1.772000     -1.6000000E-03
 C   -5.485600      0.5586000     -0.6429000    
 C   -5.798000     -0.7586000     -0.1360000    
 C    1.478100      0.1105000       1.012300    
 C    2.456500      0.3433000     -0.1280000    
 C    4.357000     -0.3786000       1.207900    
 C    4.699000       1.110500     -0.6756000    
 C    4.855200      -1.581700      0.4029000    
 C    5.209700     -3.9400000E-02  -1.547700    
 C    5.818000      -1.150300     -0.6983000    
 H   -2.356400     -0.9567000       1.372900    
 H   -3.078000       1.399200       1.290600    
 H   -1.951200      0.3857000      -1.429700    
 H   -2.999500      -2.648800     -5.4200001E-02
 H   -3.336700      -1.594700      -1.404300    
 H   -4.279200       2.230300     -0.8737000    
 H   -5.301600      -2.729200      0.3542000    
 H   -6.271200       1.028400      -1.229600    
 H   -6.845200     -0.9346000      9.6000001E-02
 H    1.421000      0.9701000       1.691700    
 H    1.744200     -0.7594000       1.617000    
 H    2.474900     -0.5350000     -0.7845000    
 H    2.074100       1.164900     -0.7472000    
 H    3.704700     -0.7091000       2.020000    
 H    5.221400      5.0999999E-02   1.734200    
 H    5.559400       1.607500     -0.2084000    
 H    4.231300       1.875300      -1.307800    
 H    4.007500      -2.121000     -3.5500001E-02
 H    5.362800      -2.285200       1.072800    
 H    5.962200      0.3385000      -2.249200    
 H    4.390900     -0.4455000      -2.153300    
 H    6.751400     -0.7927000     -0.2462000    
 H    6.075800      -2.007900      -1.329400    


%chk=000037864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037864

0 1
O 0.261585 -1.095438 0.949710
O -0.378532 1.155795 1.033755
N 3.900832 -0.082608 0.711364
C -3.260368 0.131944 0.895776
C -2.843650 0.372959 -0.541036
C -1.974328 -0.565179 0.361280
C -4.479152 -0.745219 1.195283
C -3.610774 -0.137321 -1.714484
C -0.658443 -0.050309 0.803693
C -5.771776 -0.211823 0.602961
C -4.975884 -0.250854 -1.803030
C -5.968643 -0.028286 -0.739790
C 1.629755 -0.713299 1.416958
C 2.496720 -0.184392 0.255844
C 4.730154 -1.284026 0.433040
C 4.615973 1.170252 0.361515
C 5.241080 -1.344133 -1.033886
C 5.132967 1.200620 -1.103675
C 6.008329 -0.045471 -1.386859
H -3.079480 0.961285 1.587924
H -2.334228 1.331178 -0.720422
H -2.030711 -1.641646 0.182711
H -4.577895 -0.878879 2.287314
H -4.296915 -1.752882 0.766312
H -3.018968 -0.317942 -2.624405
H -6.608192 -0.019385 1.288462
H -5.390694 -0.508143 -2.789235
H -6.970462 0.272943 -1.078754
H 1.548748 0.048648 2.210320
H 2.042278 -1.649408 1.825478
H 2.370370 -0.857766 -0.621963
H 2.123373 0.811693 -0.040272
H 4.143201 -2.188403 0.680197
H 5.602632 -1.265881 1.118056
H 5.484189 1.265316 1.046852
H 3.947183 2.026385 0.563262
H 4.379624 -1.462975 -1.722361
H 5.889336 -2.232008 -1.169644
H 5.709830 2.130223 -1.278528
H 4.270132 1.216958 -1.800663
H 6.929147 0.009994 -0.768171
H 6.334159 -0.061315 -2.444390


