%chk=000042253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042253

0 1
 O   -1.018300     -9.4700001E-02 -0.1457000    
 O   -1.824700       2.029800     -0.4481000    
 N    2.651400     -0.3344000     -0.3815000    
 N    5.400300     -2.9600000E-02  0.4606000    
 N   -4.731300      -1.659200      0.3794000    
 C    3.029500      0.6432000      0.6464000    
 C    3.575400      -1.475000     -0.3679000    
 C    4.475700       1.110600      0.4491000    
 C    5.021300      -1.007500     -0.5666000    
 C    1.272800     -0.7807000     -0.1910000    
 C    6.778500      0.4176000      0.2684000    
 C   0.3077000      0.3870000     -0.3204000    
 C   -2.022100      0.8385000     -0.2328000    
 C   -3.360700      0.2733000     -4.3400001E-02
 C   -4.481600       1.083000     -0.1018000    
 C   -3.526200      -1.074600      0.1961000    
 C   -5.738800      0.5181000      8.1900001E-02
 C   -5.809100     -0.8454000      0.3173000    
 H    2.907900      0.2247000       1.654600    
 H    2.422800       1.551100      0.5868000    
 H    3.323100      -2.166700      -1.180900    
 H    3.494100      -2.034100      0.5742000    
 H    4.558000       1.671400     -0.4921000    
 H    4.729900       1.800600       1.263000    
 H    5.678300      -1.883500     -0.5045000    
 H    5.136900     -0.5831000      -1.573200    
 H    1.133400      -1.274200      0.7803000    
 H    1.009100      -1.528700     -0.9501000    
 H    7.071400       1.112500       1.063200    
 H    6.922000      0.9172000     -0.6966000    
 H    7.469000     -0.4313000      0.3231000    
 H   0.3997000      0.8517000      -1.309700    
 H   0.4698000       1.143000      0.4525000    
 H   -4.404100       2.150400     -0.2877000    
 H   -2.695800      -1.770300      0.2555000    
 H   -6.635500       1.125900      4.1999999E-02
 H   -6.766000      -1.334500      0.4671000    


%chk=000042253-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042253

0 1
O -1.071362 -0.074905 -0.144889
O -1.909882 1.991050 -0.827092
N 2.666063 -0.283410 -0.161644
N 5.506995 -0.061419 0.369646
N -4.840253 -1.633739 0.633031
C 3.179094 0.556767 0.951468
C 3.587741 -1.420694 -0.414471
C 4.589671 1.073926 0.626637
C 4.996602 -0.899260 -0.740785
C 1.258931 -0.703605 0.026690
C 6.898790 0.376317 0.153217
C 0.311820 0.419306 -0.412902
C -2.103503 0.824469 -0.403115
C -3.444650 0.235809 -0.116621
C -4.597290 1.031632 -0.337808
C -3.617910 -1.087848 0.368524
C -5.865826 0.480038 -0.068951
C -5.938918 -0.849087 0.412510
H 3.218511 -0.023747 1.907354
H 2.503375 1.418353 1.102184
H 3.204793 -2.003903 -1.272350
H 3.654865 -2.101252 0.470691
H 4.527184 1.761476 -0.255652
H 4.975154 1.653540 1.486453
H 5.681696 -1.756280 -0.882259
H 4.953895 -0.326315 -1.702799
H 1.031231 -0.991953 1.081397
H 1.065186 -1.592087 -0.601298
H 7.252777 0.940510 1.034841
H 7.024131 1.028867 -0.748340
H 7.551295 -0.506670 0.028792
H 0.417363 0.636750 -1.489417
H 0.465567 1.357199 0.149440
H -4.474158 2.053286 -0.711608
H -2.748590 -1.726554 0.549668
H -6.780194 1.059907 -0.226397
H -6.906392 -1.314372 0.633354


