%chk=000037305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037305

0 1
 O  -0.4637000     -0.3475000      -1.452600    
 N    1.981100     -0.1268000     -0.1912000    
 N   -1.512000     -0.3080000      0.6478000    
 C    4.419500      8.4200002E-02 -0.3240000    
 C    3.233000     -0.4160000      0.4983000    
 C    5.745900     -0.2285000      0.3719000    
 C    6.933800      0.3018000     -0.4306000    
 C   0.8459000     -0.6847000      0.5456000    
 C    1.811600       1.316600     -0.3679000    
 C  -0.4351000     -0.4263000     -0.2285000    
 C    8.255200     -3.6200002E-02  0.2411000    
 C   -2.868000     -6.6399999E-02  0.3219000    
 C   -3.327300       1.239900      0.2421000    
 C   -3.714500      -1.140000      8.8699996E-02
 C   -4.663900       1.478000     -7.8000002E-02
 C   -5.051100     -0.9018000     -0.2314000    
 C   -2.428800       2.408000      0.4909000    
 C   -3.235800      -2.553400      0.1707000    
 C   -5.525700      0.4073000     -0.3148000    
 H    4.408700     -0.3751000      -1.320400    
 H    4.385300       1.169800     -0.4607000    
 H    3.336800      -1.500500      0.6303000    
 H    3.251800      3.4400001E-02   1.499400    
 H    5.752300      0.2187000       1.373500    
 H    5.844000      -1.313200      0.5018000    
 H    6.924000     -0.1283000      -1.438900    
 H    6.853900       1.389500     -0.5410000    
 H   0.9448000      -1.772800      0.6410000    
 H   0.7827000     -0.2555000       1.553600    
 H    2.513400       1.713100      -1.108300    
 H    1.946200       1.863900      0.5730000    
 H   0.8332000       1.603200     -0.7649000    
 H    9.090700      0.3531000     -0.3489000    
 H    8.310800      0.4052000       1.241400    
 H    8.381700      -1.119500      0.3356000    
 H   -1.362800     -0.5807000       1.616900    
 H   -5.050300       2.491300     -0.1483000    
 H   -5.736400      -1.723900     -0.4198000    
 H   -1.931900       2.314100       1.462300    
 H   -1.672400       2.480600     -0.2970000    
 H   -2.983300       3.352700      0.5047000    
 H   -2.494000      -2.751100     -0.6100000    
 H   -2.791800      -2.753900       1.151500    
 H   -4.053800      -3.269500      3.5399999E-02
 H   -6.566400      0.5927000     -0.5645000    


%chk=000037305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037305

0 1
O -0.498724 0.360511 -1.378564
N 2.007134 0.343142 0.159801
N -1.577479 -0.283343 0.600654
C 4.521460 0.404498 -0.128415
C 3.304095 -0.265817 0.540844
C 5.833837 -0.362984 0.151491
C 7.073698 0.306152 -0.484617
C 0.866013 -0.510129 0.502040
C 1.833264 1.736065 0.611873
C -0.447560 -0.080787 -0.199245
C 8.382169 -0.465197 -0.207473
C -2.951006 -0.117819 0.199196
C -3.425578 1.138918 -0.276352
C -3.823361 -1.238514 0.343324
C -4.792836 1.237118 -0.639576
C -5.183241 -1.090583 -0.014490
C -2.527012 2.354171 -0.369197
C -3.300473 -2.569696 0.855644
C -5.667422 0.138122 -0.514292
H 4.334682 0.456050 -1.218526
H 4.636399 1.446863 0.229340
H 3.276456 -1.327720 0.224753
H 3.453312 -0.264245 1.654711
H 5.989324 -0.448274 1.248074
H 5.744843 -1.401043 -0.232239
H 6.917947 0.393287 -1.579057
H 7.165200 1.342688 -0.100456
H 1.089883 -1.540780 0.161513
H 0.683492 -0.568912 1.612783
H 2.650695 2.364463 0.223488
H 1.815726 1.835371 1.728465
H 0.888993 2.137777 0.206531
H 9.252408 0.031946 -0.674117
H 8.577041 -0.538065 0.879403
H 8.327036 -1.495436 -0.607394
H -1.414318 -0.726430 1.509321
H -5.170820 2.196627 -1.011390
H -5.859331 -1.947519 0.087342
H -1.890992 2.451974 0.530837
H -1.843393 2.265258 -1.232807
H -3.123075 3.276406 -0.476175
H -2.413473 -2.900784 0.284072
H -3.003041 -2.522669 1.923309
H -4.073686 -3.351337 0.770546
H -6.720984 0.239178 -0.797274


