%chk=000113753.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113753

0 1
 O  -0.5961000      -4.659100     -0.4245000    
 O   -2.329300      -2.457200     -0.3555000    
 N    1.869000      -2.020800      0.4200000    
 N    3.846600      7.6000001E-03  5.4099999E-02
 C    3.138700      -2.081000       1.154700    
 C    2.085800      -1.424300     -0.9036000    
 C    3.729700     -0.6821000       1.345000    
 C    2.642700     -3.5999999E-03 -0.7824000    
 C    1.286900      -3.356200      0.2918000    
 C  -8.9500003E-02  -3.322200     -0.3766000    
 C    4.749400       1.072400     -4.3099999E-02
 C   -1.099000      -2.446000      0.3619000    
 C    6.123700      0.8838000      0.2052000    
 C    4.311200       2.365700     -0.3913000    
 C    7.023300       1.945500      0.1092000    
 C    5.210800       3.427400     -0.4874000    
 C    6.566800       3.217200     -0.2372000    
 C   -3.111000      -1.337700     -0.2536000    
 C   -3.937600     -0.9761000      -1.312000    
 C   -3.071700     -0.5728000      0.9070000    
 C   -4.699700      0.9359000     -4.7200002E-02
 C   -4.734300      0.1642000      -1.208500    
 C   -3.868500      0.5675000       1.010700    
 C   -5.530800       2.124600      6.1500002E-02
 C   -4.934600       3.433700     -0.4246000    
 C   -6.793800       2.046400      0.5690000    
 C   -7.788800       3.147200      0.7576000    
 H    2.978500      -2.521600       2.146200    
 H    3.862700      -2.716700      0.6272000    
 H    2.773200      -2.039600      -1.499800    
 H    1.154100      -1.330500      -1.468800    
 H    3.091200     -9.0000004E-02   2.013400    
 H    4.703200     -0.7874000       1.837600    
 H    2.870100      0.3605000      -1.792200    
 H    1.880500      0.6558000     -0.3474000    
 H    1.947400      -4.033600     -0.2669000    
 H    1.172400      -3.809400       1.286000    
 H  -2.1900000E-02  -3.015300      -1.424800    
 H  -0.6951000      -1.429700      0.4374000    
 H   -1.283300      -2.849900       1.364500    
 H    6.504800     -0.1015000      0.4643000    
 H    3.260500       2.570600     -0.5808000    
 H   -1.477100      -4.622800     -0.8351000    
 H    8.079500       1.781600      0.3012000    
 H    4.855400       4.418500     -0.7542000    
 H    7.267300       4.043800     -0.3120000    
 H   -3.967100      -1.574400      -2.218300    
 H   -2.461800     -0.8403000       1.764400    
 H   -5.376400      0.4383000      -2.042300    
 H   -3.834800       1.155500       1.924800    
 H   -5.053100       3.521000      -1.509500    
 H   -5.386600       4.307900      5.0799999E-02
 H   -3.864000       3.477400     -0.1936000    
 H   -7.149400       1.070100      0.8990000    
 H   -7.500000       4.084200      0.2774000    
 H   -8.749600       2.845900      0.3275000    
 H   -7.938300       3.334600       1.825200    


%chk=000113753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113753

0 1
O -0.774773 -4.226248 -0.170200
O -2.186732 -1.818550 -0.596187
N 2.077146 -1.844785 0.286680
N 4.409903 -0.144226 -0.027870
C 3.114627 -1.774697 1.344991
C 2.721820 -1.664459 -1.037480
C 3.821479 -0.410437 1.306265
C 3.435273 -0.304069 -1.124077
C 1.253357 -3.075452 0.373772
C -0.092823 -2.938451 -0.359714
C 5.439467 0.826045 -0.156396
C -0.939165 -1.790629 0.194500
C 6.459424 0.949147 0.837504
C 5.521181 1.685512 -1.294652
C 7.505565 1.880604 0.692167
C 6.580485 2.607767 -1.433500
C 7.582794 2.719619 -0.445214
C -3.172160 -0.857006 -0.307864
C -4.338251 -0.907059 -1.111190
C -3.054671 0.133188 0.694670
C -5.298433 1.018561 0.112506
C -5.374126 0.017576 -0.903855
C -4.107847 1.054828 0.887565
C -6.403532 2.001682 0.343054
C -6.020096 3.308559 1.022839
C -7.691482 1.707589 -0.023093
C -8.925702 2.568675 0.112347
H 2.628438 -1.899268 2.330096
H 3.876927 -2.585875 1.227147
H 3.464670 -2.478716 -1.234186
H 1.955185 -1.707415 -1.831552
H 3.080378 0.381561 1.563088
H 4.609347 -0.396068 2.074933
H 3.968316 -0.260873 -2.089622
H 2.672132 0.509557 -1.111551
H 1.775030 -3.974706 -0.032849
H 1.038245 -3.281651 1.439038
H 0.062950 -2.756696 -1.444830
H -0.414676 -0.824833 0.071421
H -1.171883 -1.962046 1.265208
H 6.455989 0.295901 1.715861
H 4.748261 1.658305 -2.067692
H -1.697829 -4.122982 -0.519962
H 8.274883 1.942018 1.470995
H 6.610473 3.253211 -2.319395
H 8.400355 3.439585 -0.554507
H -4.402882 -1.661739 -1.901498
H -2.162057 0.199796 1.323748
H -6.246248 -0.018167 -1.565386
H -3.994962 1.807906 1.674260
H -5.133636 3.762125 0.541755
H -6.837424 4.045627 0.993988
H -5.765198 3.147460 2.089099
H -7.885834 0.712907 -0.450447
H -8.712989 3.585522 0.481160
H -9.442802 2.663665 -0.863071
H -9.653689 2.105602 0.808584


