%chk=000036769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036769

0 1
 O   0.1394000      -1.559200     -8.1400000E-02
 N    3.368700      0.2304000     -0.2174000    
 C    1.067800     -0.5259000     -0.5048000    
 C   0.4625000      0.8479000     -0.1772000    
 C  -0.9651000      0.4648000     -0.1057000    
 C    2.404500     -0.7529000      0.1820000    
 C   -1.070300     -0.9155000     -2.8400000E-02
 C   -2.090400       1.266500     -4.9500000E-02
 C   -2.289700      -1.549500      0.1107000    
 C   -3.336300      0.6465000      7.7500001E-02
 C   -3.435000     -0.7526000      0.1588000    
 C    4.658700      2.7500000E-02  0.4463000    
 C   -4.574100       1.477900      0.1369000    
 C    5.659300       1.094300      5.2200001E-02
 H    1.183100     -0.6347000      -1.593300    
 H   0.6741000       1.580900     -0.9608000    
 H   0.7912000       1.233200      0.7939000    
 H    2.754000      -1.765600     -5.7999998E-02
 H    2.254700     -0.7379000       1.269600    
 H   -2.000700       2.347000     -9.5200002E-02
 H    3.497500      0.2125000      -1.228600    
 H   -2.361600      -2.629100      0.1775000    
 H    4.527400      5.8400001E-02   1.534300    
 H    5.065800     -0.9566000      0.1858000    
 H   -4.406700      -1.228800      0.2650000    
 H   -4.444500       2.421000     -0.4048000    
 H   -5.420300      0.9574000     -0.3245000    
 H   -4.824900       1.703900       1.178000    
 H    5.850000       1.080000      -1.026100    
 H    5.299800       2.092900      0.3223000    
 H    6.612300      0.9290000      0.5650000    


%chk=000036769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036769

0 1
O 0.099336 -1.652014 -1.047544
N 3.351975 0.102709 -0.269932
C 1.181339 -0.610392 -1.224553
C 0.468413 0.773869 -1.188787
C -0.884151 0.436947 -0.575833
C 2.198846 -0.801830 -0.082506
C -1.031100 -0.970080 -0.550118
C -1.929724 1.252941 -0.117043
C -2.199166 -1.592746 -0.085521
C -3.133016 0.663146 0.369428
C -3.245493 -0.751392 0.372985
C 4.279611 0.181619 0.882843
C -4.273199 1.537869 0.866568
C 5.447356 1.135890 0.581033
H 1.650380 -0.829124 -2.200477
H 0.348228 1.194881 -2.205021
H 1.071992 1.486738 -0.600613
H 2.472173 -1.882325 -0.029356
H 1.706770 -0.544859 0.875987
H -1.828645 2.345473 -0.133190
H 3.863328 -0.111768 -1.139101
H -2.293523 -2.682327 -0.075718
H 3.706103 0.558590 1.752170
H 4.682422 -0.819915 1.177307
H -4.169012 -1.210845 0.745569
H -4.674844 2.179213 0.058576
H -5.108347 0.928471 1.253379
H -3.944173 2.210824 1.681024
H 6.048803 0.774219 -0.275433
H 5.067085 2.141928 0.331536
H 6.121434 1.217992 1.452443


