%chk=000100310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100310

0 1
 O   0.4670000     -0.2380000     -0.3040000    
 O   -3.486900     -0.9849000       1.982000    
 O   -4.943600       1.270300     -0.7967000    
 O   -3.548200       1.888100      0.8835000    
 O  -0.9302000      -1.467400      -1.649800    
 N   -1.752900     -9.3999999E-03 -4.3200001E-02
 C   -3.161600     -0.2208000     -0.2698000    
 C   -3.714100      -1.324900      0.6197000    
 C    2.854800     -0.2687000     -0.3479000    
 C    1.599900     -0.8249000     -0.9541000    
 C   -3.865600       1.090300      1.0900000E-02
 C  -0.7566000     -0.6500000     -0.7518000    
 C    3.427500      0.8799000     -0.8828000    
 C    3.434100     -0.9072000      0.7428000    
 C    4.594300       1.396700     -0.3196000    
 C    4.600900     -0.3905000       1.306100    
 C    5.181000      0.7615000      0.7748000    
 H   -3.303000     -0.4815000      -1.325100    
 H   -3.214500      -2.277700      0.4165000    
 H   -4.791700      -1.447800      0.4701000    
 H   -1.468600      0.6328000      0.6911000    
 H    1.566700     -0.6024000      -2.027900    
 H    1.571600      -1.915200     -0.8341000    
 H    2.977800       1.383800      -1.733800    
 H    2.989700      -1.803900       1.166000    
 H    5.045800       2.293900     -0.7328000    
 H    5.057600     -0.8846000       2.158700    
 H    6.089400       1.163900       1.213500    
 H   -3.850000      -1.708500       2.520600    
 H   -5.411800       2.109400     -0.5994000    


%chk=000100310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100310

0 1
O 0.490012 -0.160345 -0.250328
O -3.733275 -1.005675 1.826837
O -5.297605 1.018312 -0.288826
O -3.493606 2.171187 0.617355
O -0.986997 -1.513005 -1.506078
N -1.754334 0.157074 -0.053012
C -3.164763 -0.093322 -0.329628
C -3.727686 -1.336773 0.397459
C 2.909111 -0.325199 -0.318422
C 1.633372 -0.900963 -0.881432
C -3.956217 1.153533 0.063907
C -0.780278 -0.585000 -0.673692
C 3.519064 0.801573 -0.925384
C 3.514591 -0.900653 0.826668
C 4.709257 1.347011 -0.395510
C 4.705551 -0.358809 1.359462
C 5.305320 0.767148 0.748909
H -3.300820 -0.271258 -1.413839
H -3.069144 -2.196819 0.167738
H -4.752274 -1.535269 0.025194
H -1.505875 0.886290 0.619345
H 1.559292 -0.772482 -1.976031
H 1.516665 -1.974335 -0.648832
H 3.056632 1.253431 -1.811245
H 3.048949 -1.771884 1.303165
H 5.171707 2.218101 -0.872775
H 5.164953 -0.812221 2.244792
H 6.230178 1.187739 1.159592
H -3.950718 -1.808044 2.361039
H -5.802262 1.822954 0.007072


