%chk=000040983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040983

0 1
 O  -0.3500000       2.086300      3.1099999E-02
 N   -2.493000      0.1823000      0.2957000    
 N    5.246600     -0.7215000     -0.5217000    
 C   -3.442900     -0.7801000     -0.2626000    
 C   -1.125100     -0.2167000      4.1999999E-03
 C  -0.1270000      0.7912000      0.5871000    
 C   -4.894900     -0.3421000     -1.3800000E-02
 C   -3.183500      -2.148700      0.3655000    
 C    1.301700      0.3898000      0.2924000    
 C   -5.239600       1.007800     -0.6299000    
 C    2.180800      0.1992000       1.344300    
 C    1.698500      0.2208000      -1.022900    
 C    3.497700     -0.1716000       1.072600    
 C    3.015400     -0.1502000      -1.294800    
 C    3.915100     -0.3466000     -0.2470000    
 H   -3.301500     -0.8538000      -1.348700    
 H  -0.8729000      -1.192300      0.4317000    
 H   -1.011900     -0.2784000      -1.084400    
 H  -0.2771000      0.8755000       1.670800    
 H   -2.624900      0.2595000       1.303800    
 H   -5.575200      -1.094700     -0.4317000    
 H   -5.097500     -0.3012000       1.064100    
 H   -4.011500      -2.831500      0.1396000    
 H   -3.103200      -2.094200       1.457300    
 H   -2.285400      -2.631700     -3.2299999E-02
 H   -4.658000       1.816600     -0.1770000    
 H   -5.048600       1.005900      -1.707800    
 H   -6.299800       1.232100     -0.4742000    
 H    1.867800      0.3320000       2.375700    
 H    1.018100      0.3838000      -1.853100    
 H   -1.281600       2.314500      0.1920000    
 H    4.189300     -0.3217000       1.897700    
 H    3.329400     -0.2800000      -2.327400    
 H    5.549500     -0.8492000      -1.478100    
 H    5.899100     -0.8647000      0.2377000    


%chk=000040983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040983

0 1
O -0.707480 1.807713 -0.191350
N -2.477378 -0.060899 0.601569
N 5.300969 -0.501040 -0.766038
C -3.485317 -0.923594 -0.079854
C -1.056932 -0.490826 0.536048
C -0.151173 0.774494 0.680397
C -4.849258 -0.189219 -0.131561
C -3.628927 -2.323347 0.572866
C 1.292570 0.481053 0.309895
C -4.834271 1.102782 -0.973651
C 2.174550 -0.108530 1.248601
C 1.780345 0.745763 -0.992886
C 3.499648 -0.440927 0.901526
C 3.103156 0.424840 -1.353659
C 3.985863 -0.180042 -0.412005
H -3.124008 -1.055545 -1.120399
H -0.768397 -1.250598 1.294263
H -0.883033 -0.929433 -0.464254
H -0.195466 1.114024 1.742474
H -2.770550 0.150155 1.568178
H -5.602681 -0.892046 -0.538974
H -5.170862 0.039800 0.906954
H -4.319530 -2.962277 -0.008537
H -4.032314 -2.235457 1.600740
H -2.654266 -2.841085 0.628847
H -4.100412 1.824922 -0.575519
H -4.558820 0.887593 -2.023193
H -5.827154 1.588642 -0.977133
H 1.828881 -0.303484 2.272763
H 1.109653 1.233514 -1.707188
H -1.693619 1.592847 -0.188253
H 4.166030 -0.893169 1.647009
H 3.464635 0.650063 -2.365366
H 5.653721 -0.294272 -1.695345
H 5.935727 -0.916019 -0.091061


