%chk=000037608.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037608

0 1
 O   1.3000000E-03 -0.8080000      0.1831000    
 O    1.287400     -0.2379000      -1.620000    
 N   -3.638500     -0.1521000     -0.1549000    
 N    2.190800     -0.4633000      0.5279000    
 C   -1.178700     -0.2619000     -0.3967000    
 C   -2.407100     -0.7497000      0.3768000    
 C   -1.090800       1.262000     -0.3945000    
 C   -3.591100       1.315300     -8.2500003E-02
 C   -2.403300       1.871000     -0.8707000    
 C   -4.806800     -0.6629000      0.5618000    
 C   -6.091700     -0.1329000     -7.2300002E-02
 C   -7.327200     -0.6725000      0.6491000    
 C    1.188400     -0.4761000     -0.4224000    
 C   -8.609700     -0.1216000      4.6300001E-02
 C    3.562000     -0.1740000      0.3428000    
 C    4.007000       1.134400      0.4679000    
 C    4.442400      -1.203000      3.9500002E-02
 C    5.360300       1.419800      0.2858000    
 C    5.795700     -0.9177000     -0.1424000    
 C    3.073800       2.255300      0.7936000    
 C    3.981300      -2.617800     -9.8999999E-02
 C    6.254600      0.3937000     -1.9300001E-02
 H   -1.258800     -0.6269000      -1.430100    
 H   -2.450000      -1.843700      0.2967000    
 H   -2.284800     -0.5288000       1.446300    
 H  -0.8593000       1.618200      0.6181000    
 H  -0.2792000       1.627600      -1.031900    
 H   -4.467600       1.780400     -0.5397000    
 H   -3.536700       1.657000      0.9594000    
 H   -2.538100       1.659800      -1.939300    
 H   -2.364800       2.961000     -0.7625000    
 H   -4.820700      -1.758800      0.5067000    
 H   -4.770000     -0.3914000       1.624800    
 H   -6.132500     -0.4093000      -1.133300    
 H   -6.160600      0.9567000     -1.0900000E-02
 H   -7.343300      -1.767100      0.5909000    
 H   -7.286900     -0.4045000       1.711500    
 H   -8.695500     -0.3949000      -1.010200    
 H   -8.643500      0.9698000      0.1233000    
 H   -9.479800     -0.5257000      0.5732000    
 H    1.922000     -0.6844000       1.483400    
 H    5.735100       2.435900      0.3770000    
 H    6.506100      -1.704600     -0.3815000    
 H    2.360600       2.407400     -2.3200000E-02
 H    3.607800       3.199900      0.9447000    
 H    2.525500       2.044700       1.718000    
 H    4.819400      -3.306800     -0.2509000    
 H    3.457800      -2.943200      0.8062000    
 H    3.312500      -2.718600     -0.9601000    
 H    7.308100      0.6159000     -0.1615000    


%chk=000037608-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037608

0 1
O 0.024484 0.337419 0.551249
O 1.267281 -0.042326 -1.423957
N -3.669479 0.254314 -0.025518
N 2.258977 0.037919 0.726978
C -1.219575 0.481218 -0.262003
C -2.372922 0.113520 0.683402
C -1.358819 1.917908 -0.787289
C -3.873871 1.650993 -0.489363
C -2.746966 2.080479 -1.450757
C -4.796830 -0.266983 0.790578
C -6.094121 -0.492594 -0.012867
C -7.185969 -1.193233 0.828762
C 1.210098 0.093901 -0.177478
C -8.496277 -1.412381 0.042334
C 3.647213 -0.139853 0.401286
C 4.568513 0.832976 0.893965
C 4.087848 -1.277732 -0.335659
C 5.945229 0.663126 0.619693
C 5.474954 -1.395809 -0.605064
C 4.080798 2.032791 1.687680
C 3.129912 -2.355235 -0.800204
C 6.399307 -0.439309 -0.136619
H -1.169759 -0.230505 -1.105835
H -2.256481 -0.933929 1.014740
H -2.314040 0.767820 1.592378
H -1.263670 2.618677 0.066468
H -0.549611 2.139641 -1.505166
H -4.846056 1.714791 -1.007603
H -3.911053 2.360221 0.381846
H -2.799530 1.456276 -2.362986
H -2.899464 3.132760 -1.755998
H -4.474997 -1.240616 1.210188
H -5.014090 0.403349 1.664798
H -5.852660 -1.103939 -0.904340
H -6.497000 0.470654 -0.384121
H -6.801308 -2.170323 1.186283
H -7.395799 -0.590161 1.736228
H -8.320016 -2.035333 -0.854681
H -8.921261 -0.448936 -0.297304
H -9.259752 -1.918530 0.661324
H 2.015087 0.300617 1.684586
H 6.659653 1.407649 0.989959
H 5.827861 -2.262792 -1.175721
H 3.265466 2.562263 1.160501
H 4.901967 2.749307 1.856136
H 3.691046 1.746042 2.685848
H 3.676777 -3.274421 -1.070731
H 2.395169 -2.605324 -0.012339
H 2.549450 -2.014846 -1.676709
H 7.467186 -0.555820 -0.351896


