%chk=000057080.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057080

0 1
 O   -1.314900       1.716800       1.006500    
 O  -0.8303000      -2.407200      0.6779000    
 N    2.934500     -0.5033000      0.2299000    
 N    5.389000      0.4151000     -0.9909000    
 C   0.4827000     -0.3888000      0.4470000    
 C    1.701500      -1.287800      0.2450000    
 C    2.921400      0.4675000     -0.8711000    
 C    4.108300      -1.378900      0.1267000    
 C    4.214500       1.289900     -0.8880000    
 C    5.401900     -0.5573000      0.1087000    
 C   0.6173000      0.4241000       1.735400    
 C  -0.8056000      -1.199500      0.4598000    
 C  -0.6707000       1.131900       2.138600    
 C   -2.075500     -0.4761000      0.1754000    
 C    6.621600       1.200300      -1.004000    
 C   -2.243700      0.8958000      0.4181000    
 C   -3.122400      -1.208600     -0.4019000    
 C   -3.429600       1.528400      2.8200001E-02
 C   -4.311500     -0.5735000     -0.7617000    
 C   -4.462000      0.7951000     -0.5548000    
 C   -5.405300      -1.381300      -1.380500    
 C   -5.721200       1.497500     -0.9443000    
 H   0.3775000      0.2782000     -0.4166000    
 H    1.588200      -1.866600     -0.6820000    
 H    1.747400      -2.019200       1.063200    
 H    2.117100       1.200800     -0.7659000    
 H    2.788500     -3.5100002E-02  -1.838800    
 H    4.054300      -2.002000     -0.7764000    
 H    4.143300      -2.056000      0.9888000    
 H    4.181800       1.967200      -1.750200    
 H    4.268100       1.913000      1.5300000E-02
 H    5.531800     -5.2999999E-02   1.076100    
 H    6.246100      -1.246300     -1.5799999E-02
 H    1.389500       1.190500       1.596500    
 H   0.9452000     -0.2055000       2.571900    
 H   -1.346500      0.4612000       2.686900    
 H  -0.4300000       1.944900       2.833100    
 H    7.492400      0.5466000      -1.126400    
 H    6.753400       1.781500     -8.4200002E-02
 H    6.627100       1.892800      -1.853100    
 H   -3.004600      -2.272800     -0.5942000    
 H   -3.546100       2.596300      0.2012000    
 H   -6.323300      -1.307600     -0.7883000    
 H   -5.602700      -1.042000      -2.402600    
 H   -5.144700      -2.444000      -1.435800    
 H   -5.914100       1.380200      -2.015600    
 H   -6.571400       1.106700     -0.3760000    
 H   -5.664500       2.573200     -0.7443000    


%chk=000057080-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057080

0 1
O -1.400861 1.744428 1.116327
O -0.782469 -2.453874 0.522786
N 2.945976 -0.448879 0.067568
N 5.545531 0.406955 -0.905376
C 0.449351 -0.337919 0.409373
C 1.675441 -1.213271 0.064087
C 3.071884 0.480722 -1.083547
C 4.129270 -1.344221 0.129313
C 4.367449 1.301949 -0.976483
C 5.421678 -0.520626 0.243399
C 0.655206 0.429523 1.747156
C -0.832556 -1.188883 0.433614
C -0.631831 1.112739 2.228124
C -2.136126 -0.478367 0.234099
C 6.819121 1.149760 -0.897129
C -2.334027 0.914080 0.467104
C -3.218048 -1.214472 -0.328390
C -3.539694 1.536059 0.071631
C -4.429884 -0.613828 -0.713718
C -4.583838 0.801304 -0.528543
C -5.543409 -1.444186 -1.326246
C -5.863021 1.501036 -0.946094
H 0.295939 0.433403 -0.371881
H 1.495790 -1.719804 -0.917370
H 1.750294 -2.017691 0.818077
H 2.209537 1.172358 -1.091563
H 3.075713 -0.077017 -2.054385
H 4.199391 -1.994463 -0.778997
H 4.030135 -2.000083 1.014249
H 4.466786 1.949050 -1.868468
H 4.299912 1.964222 -0.074184
H 5.411277 0.032539 1.218423
H 6.293762 -1.201558 0.245019
H 1.470296 1.157420 1.596695
H 0.996257 -0.277519 2.529277
H -1.301507 0.390849 2.736117
H -0.413104 1.948883 2.913114
H 7.664689 0.438384 -0.907986
H 6.939277 1.815773 -0.004185
H 6.889956 1.778212 -1.803336
H -3.057881 -2.287869 -0.481222
H -3.652313 2.607020 0.269511
H -6.471763 -1.389023 -0.725294
H -5.803139 -1.094689 -2.344327
H -5.252965 -2.505577 -1.398274
H -6.056250 1.372369 -2.028534
H -6.742563 1.085548 -0.417599
H -5.818866 2.582333 -0.735132


