%chk=000005037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005037

0 1
 O  -0.2393000       2.079100     -9.9600002E-02
 N   6.4199999E-02  -1.374200     -5.6499999E-02
 N   0.6735000     -0.1148000     -0.1610000    
 N   -2.755400      0.8227000      0.4111000    
 C   -1.604400      0.1443000      0.2218000    
 C   -1.283400      -1.158000      0.2226000    
 C   -4.066800      0.2888000      0.1067000    
 C  -0.3232000      0.8616000     -6.1900001E-02
 C    2.071200      8.8000000E-02 -4.1800000E-02
 C   -2.221300      -2.298700      0.4362000    
 C   0.4785000      -2.425900     -0.9800000    
 C   -4.313700      0.3885000      -1.392800    
 C   -5.122800       1.053000      0.8948000    
 C    2.640500       1.308100     -0.4197000    
 C    2.891100     -0.9300000      0.4552000    
 C    4.016000       1.508100     -0.3021000    
 C    4.266500     -0.7299000      0.5729000    
 C    4.828900      0.4893000      0.1942000    
 H   -4.171700     -0.7526000      0.4096000    
 H   -2.668700       1.835200      0.4326000    
 H   -2.827900      -2.481200     -0.4558000    
 H   -2.866000      -2.129000       1.303600    
 H   -1.673500      -3.221400      0.6565000    
 H   0.3970000      -3.405000     -0.4970000    
 H    1.508800      -2.316400      -1.329200    
 H  -0.1592000      -2.426500      -1.871800    
 H   -5.311900      1.7500000E-02  -1.648400    
 H   -4.238800       1.424700      -1.741900    
 H   -3.584400     -0.2033000      -1.956500    
 H   -4.939600      0.9701000       1.971900    
 H   -6.124600      0.6605000      0.6906000    
 H   -5.118100       2.119000      0.6407000    
 H    2.047300       2.115100     -0.8371000    
 H    2.488800      -1.881100      0.7918000    
 H    4.455300       2.454800     -0.6027000    
 H    4.899100      -1.520300      0.9661000    
 H    5.899800      0.6450000      0.2860000    


%chk=000005037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005037

0 1
O -0.239300 2.093745 0.130103
N 0.107411 -1.464998 0.005502
N 0.648856 -0.136023 -0.096426
N -2.781273 0.754371 0.599710
C -1.614998 0.053242 0.297066
C -1.304336 -1.296877 0.238985
C -4.138835 0.336717 0.176369
C -0.377471 0.829400 0.088701
C 2.055564 0.075585 -0.015736
C -2.160919 -2.516913 0.432977
C 0.498207 -2.340575 -1.139936
C -4.290110 0.294549 -1.367440
C -5.163506 1.291151 0.820427
C 2.606037 1.294402 -0.493455
C 2.901265 -0.915301 0.549355
C 3.997875 1.504972 -0.407652
C 4.293103 -0.693451 0.612901
C 4.850814 0.514486 0.134045
H -4.323391 -0.681199 0.569125
H -2.621312 1.769499 0.624234
H -2.694175 -2.828945 -0.487259
H -2.921750 -2.327238 1.209239
H -1.550165 -3.369136 0.778509
H 0.055398 -3.335863 -0.977824
H 1.593852 -2.444637 -1.170969
H 0.142500 -1.931806 -2.107769
H -5.280707 -0.104760 -1.655032
H -4.186382 1.309174 -1.795172
H -3.512223 -0.347587 -1.819540
H -5.073909 1.278327 1.920714
H -6.192636 1.001634 0.544589
H -5.001495 2.329837 0.471636
H 1.942026 2.062012 -0.896879
H 2.459135 -1.825993 0.965529
H 4.417551 2.449378 -0.771676
H 4.939782 -1.461120 1.052670
H 5.931318 0.685042 0.189482


