%chk=000015723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015723

0 1
 O   0.3341000     -0.1807000      -1.875500    
 N    3.951500      -1.802600      0.1028000    
 C    1.287800     -0.5749000      0.2378000    
 C   4.3900002E-02 -4.2199999E-02 -0.4677000    
 C    1.491500      -2.066800     -5.4900002E-02
 C    2.536500      0.2144000     -0.1752000    
 C    2.795100      -2.577100      0.5586000    
 C    3.799300     -0.3861000      0.4424000    
 C  -0.1451000       1.445900     -0.1234000    
 C   -1.253000     -0.8279000     -0.2054000    
 C   -1.035200       1.775900      0.8668000    
 C   -2.160900     -0.9435000      -1.227400    
 C   0.5857000       2.372700     -0.8225000    
 C   -1.440800      -1.376600       1.037900    
 C   -1.206500       3.124500       1.179000    
 C   -3.336500      -1.655800     -0.9900000    
 C   0.4145000       3.721300     -0.5102000    
 C   -2.616300      -2.089100       1.275200    
 C  -0.4816000       4.097200      0.4907000    
 C   -3.564100      -2.228600      0.2612000    
 H    1.189700     -0.4548000       1.326100    
 H    1.525600      -2.247500      -1.137200    
 H   0.6806000      -2.685800      0.3378000    
 H    2.506900       1.242900      0.1925000    
 H    2.664800      0.2355000      -1.264100    
 H    2.733500      -2.552800       1.653600    
 H    2.939900      -3.624400      0.2710000    
 H    4.674200      0.1599000      7.2400004E-02
 H    3.784800     -0.2621000       1.532500    
 H    4.795100      -2.165800      0.5456000    
 H  -7.6899998E-02  0.5470000      -2.371200    
 H   -1.610100       1.074400       1.453400    
 H   -2.022900     -0.4953000      -2.205100    
 H    1.274000       2.121200      -1.621900    
 H  -0.7348000      -1.272900       1.853600    
 H   -1.900300       3.418000       1.961500    
 H   -4.076800      -1.760800      -1.777600    
 H   0.9751000       4.479500      -1.049300    
 H   -2.796100      -2.531500       2.250600    
 H  -0.6148000       5.147200      0.7339000    
 H   -4.480300      -2.781600      0.4467000    


%chk=000015723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015723

0 1
O 0.347238 -0.065805 -1.982289
N 3.973734 -1.845412 0.185338
C 1.318070 -0.606862 0.163372
C 0.046484 0.008860 -0.530045
C 1.556038 -2.073823 -0.286720
C 2.614082 0.211137 -0.062685
C 2.777696 -2.676677 0.437804
C 3.806681 -0.455433 0.657163
C -0.158323 1.502194 -0.149509
C -1.219404 -0.828460 -0.212997
C -0.978867 1.912211 0.932956
C -2.143057 -1.151544 -1.237837
C 0.505824 2.509176 -0.903379
C -1.503037 -1.281195 1.103516
C -1.126402 3.280156 1.255629
C -3.317910 -1.885803 -0.959013
C 0.352956 3.876784 -0.586670
C -2.672971 -2.019619 1.386702
C -0.463147 4.270842 0.497468
C -3.592478 -2.321263 0.356558
H 1.114898 -0.604362 1.256073
H 1.734150 -2.086282 -1.376250
H 0.665525 -2.695505 -0.079911
H 2.500446 1.242925 0.316721
H 2.826083 0.259956 -1.145967
H 2.538181 -2.758454 1.531921
H 2.968181 -3.699413 0.062601
H 4.733825 0.108148 0.442687
H 3.627443 -0.397921 1.764312
H 4.838886 -2.279812 0.530998
H -0.277633 0.536509 -2.461757
H -1.527864 1.168605 1.517371
H -1.932188 -0.859540 -2.271348
H 1.154978 2.214132 -1.734231
H -0.801040 -1.075135 1.919267
H -1.770007 3.570606 2.093933
H -4.013573 -2.123737 -1.771897
H 0.875859 4.632535 -1.184050
H -2.863371 -2.360624 2.410814
H -0.583454 5.331526 0.744764
H -4.501433 -2.893319 0.573590


