%chk=000028780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028780

0 1
 O   0.1415000       2.146600      0.2219000    
 O   -4.040900       2.218600      0.1793000    
 O   -4.343500     -4.5699999E-02  0.1562000    
 N  -1.7000000E-03 -8.7099999E-02 -0.1263000    
 N    1.879200       1.038600     -0.8832000    
 N   -1.821700      -1.407800     -3.6800001E-02
 N   -2.206000      0.9218000      3.2600001E-02
 C    3.695200       2.477900     -3.0999999E-02
 C    2.700600       2.196700      -1.152300    
 C   0.4614000      -1.400500     -6.1099999E-02
 C    4.677500       1.324700      0.1865000    
 C  -0.6964000      -2.184800     -4.1700002E-02
 C   -1.379800     -0.1747000     -4.3099999E-02
 C   0.6778000       1.139500     -0.2194000    
 C    1.733400      -1.989300      3.0700000E-02
 C  -0.5973000      -3.587700     -3.1999999E-03
 C    5.693600       1.657300       1.268000    
 C    1.814000      -3.386300      7.3700003E-02
 C   0.6684000      -4.175500      4.7100000E-02
 C   -3.596000      0.9238000      0.1250000    
 C   -5.459300       2.393800      0.2770000    
 H    3.153200       2.673200      0.9025000    
 H    4.251900       3.390400     -0.2763000    
 H    3.227800       2.010000      -2.094000    
 H    2.052800       3.068200      -1.297500    
 H    4.140600      0.4171000      0.4803000    
 H    5.205800       1.103800     -0.7481000    
 H    2.178700      0.1611000      -1.292700    
 H    2.640200      -1.398000      7.1900003E-02
 H   -1.489000      -4.207200      3.4000000E-03
 H    5.198300       1.853400       2.224400    
 H    6.385000      0.8206000       1.408600    
 H    6.280400       2.540800      0.9969000    
 H    2.790300      -3.861000      0.1334000    
 H   0.7573000      -5.257900      8.2599998E-02
 H   -1.759800       1.834100      1.9099999E-02
 H   -5.667100       3.466600      0.3114000    
 H   -5.954400       1.968000     -0.6008000    
 H   -5.834800       1.933600       1.195900    


%chk=000028780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028780

0 1
O 0.039812 2.207159 0.039175
O -4.020310 2.281017 0.235273
O -4.500583 -0.004791 -0.059684
N -0.076162 -0.139522 -0.068361
N 1.824761 1.024802 -0.882100
N -1.899900 -1.555575 0.122790
N -2.282549 0.861817 0.125312
C 3.688125 2.475187 0.020679
C 2.653936 2.229369 -1.102125
C 0.446085 -1.468795 -0.057231
C 4.755006 1.365284 0.151294
C -0.708759 -2.315141 0.044603
C -1.509626 -0.285134 0.066975
C 0.592882 1.106205 -0.283628
C 1.752227 -1.999564 -0.050450
C -0.565128 -3.716354 0.094408
C 5.793571 1.668988 1.252683
C 1.879224 -3.408977 -0.001219
C 0.740249 -4.254792 0.059952
C -3.678952 0.920881 0.085055
C -5.471470 2.552482 0.204862
H 3.151570 2.598897 0.981324
H 4.189431 3.442045 -0.188579
H 3.166175 2.112177 -2.075889
H 1.966912 3.089561 -1.174917
H 4.257361 0.399857 0.378704
H 5.272454 1.235605 -0.822028
H 2.149370 0.125297 -1.238457
H 2.654315 -1.378711 -0.030939
H -1.452019 -4.351742 0.169744
H 5.304450 1.773796 2.239030
H 6.546452 0.863905 1.332011
H 6.329215 2.613668 1.042110
H 2.881173 -3.851413 0.004623
H 0.879231 -5.340400 0.097129
H -1.751618 1.748554 0.210176
H -5.555052 3.640298 0.337971
H -5.903196 2.237523 -0.760534
H -5.981463 2.013234 1.021158


