%chk=000064208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064208

0 1
 O   0.7955000     -8.7700002E-02   1.271900    
 N  -0.2516000      0.9277000     -0.5352000    
 N    3.249400      0.5072000      0.1847000    
 C   -1.585100      0.4198000     -0.2920000    
 C   -3.501200      0.3434000       1.355200    
 C   -3.973100      0.3985000      -1.121100    
 C   -2.988300      -1.671800     -7.1099997E-02
 C   -2.084000      0.8853000       1.093500    
 C   -2.554600      0.9402000      -1.375800    
 C   -1.572400      -1.125000     -0.3288000    
 C   -4.451900      0.8652000      0.2643000    
 C   -3.472100      -1.193800       1.308600    
 C   -3.941500      -1.139100      -1.154500    
 C   0.8336000      0.6284000      0.2737000    
 C    2.095800       1.320600     -0.1983000    
 C    3.165900     -0.8250000     -0.4300000    
 C    4.500800       1.184500     -0.1829000    
 C    4.340200      -1.705500     -1.9999999E-04
 C    5.718800      0.3697000      0.2552000    
 C    5.675900      -1.042500     -0.3172000    
 H   -3.849200      0.6778000       2.338900    
 H   -4.655100      0.7714000      -1.893300    
 H   -2.972700      -2.767000     -9.9200003E-02
 H   -2.089900       1.982200       1.144700    
 H   -1.430300      0.5457000       1.903900    
 H   -2.212300      0.6334000      -2.372900    
 H   -2.570000       2.038100      -1.378700    
 H  -0.8970000      -1.551500      0.4205000    
 H   -1.209200      -1.477200      -1.303400    
 H   -4.493800       1.960800      0.2966000    
 H   -5.470100      0.5020000      0.4502000    
 H   -2.808900      -1.579800       2.092500    
 H   -4.473100      -1.593300       1.513200    
 H   -3.616100      -1.485600      -2.143100    
 H   -4.950800      -1.537600     -0.9938000    
 H  -0.1162000       1.547600      -1.328700    
 H    2.128400       2.298000      0.2975000    
 H    2.065100       1.485000      -1.282500    
 H    3.158100     -0.7427000      -1.525500    
 H    2.257600      -1.366900     -0.1497000    
 H    4.550600       2.163800      0.3086000    
 H    4.546500       1.360800      -1.265800    
 H    4.281600      -2.675100     -0.5079000    
 H    4.276200      -1.903900       1.077300    
 H    5.752000      0.3190000       1.350900    
 H    6.636800      0.8723000     -6.9499999E-02
 H    6.498800      -1.639500      9.1100000E-02
 H    5.815400      -1.001400      -1.404400    


%chk=000064208-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064208

0 1
O 0.804590 -0.345621 1.197937
N -0.275901 0.692412 -0.595414
N 3.357780 0.399297 0.023596
C -1.672650 0.280935 -0.283963
C -3.579869 0.416381 1.394660
C -4.078552 0.497119 -1.088831
C -3.288997 -1.665567 -0.027181
C -2.106941 0.817472 1.112125
C -2.602120 0.893185 -1.368790
C -1.815112 -1.269914 -0.313208
C -4.501833 1.030475 0.307011
C -3.706361 -1.131725 1.370483
C -4.212221 -1.050103 -1.113317
C 0.839606 0.392769 0.168839
C 2.124271 1.101615 -0.331147
C 3.485338 -0.932263 -0.613834
C 4.564773 1.238780 -0.158880
C 4.707915 -1.691209 -0.060029
C 5.814476 0.537508 0.411655
C 5.997971 -0.856839 -0.228760
H -3.873562 0.798067 2.392167
H -4.724916 0.941077 -1.871385
H -3.376992 -2.769648 -0.044926
H -1.999038 1.920792 1.124778
H -1.433543 0.404581 1.883610
H -2.297749 0.528723 -2.372182
H -2.501914 1.998656 -1.365455
H -1.136550 -1.707225 0.440225
H -1.500458 -1.644697 -1.308050
H -4.433103 2.136866 0.330137
H -5.559229 0.764115 0.505945
H -3.060073 -1.575483 2.152963
H -4.750193 -1.430746 1.594126
H -3.935951 -1.441318 -2.113516
H -5.265997 -1.339845 -0.928548
H -0.135352 1.258783 -1.436532
H 2.146984 2.101687 0.147599
H 2.026894 1.283586 -1.439380
H 3.584920 -0.835074 -1.729777
H 2.564714 -1.504008 -0.403586
H 4.401212 2.202829 0.360085
H 4.743276 1.471073 -1.244729
H 4.801006 -2.665112 -0.578321
H 4.534764 -1.895646 1.013520
H 5.688318 0.427405 1.505774
H 6.705126 1.171195 0.235027
H 6.861103 -1.379988 0.224761
H 6.222641 -0.738852 -1.309782


