%chk=000088194.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088194

0 1
 O   -1.856000       1.402000     -4.9999999E-03
 O   -3.800400       2.594000     -4.5699999E-02
 N    2.261800      -1.067600      3.1999999E-03
 N    2.973000      7.7200003E-02  4.6999999E-03
 N    2.942700      -2.230600     -1.1000000E-03
 C   -1.922200      -1.024600     -6.0000001E-03
 C   0.8789000      -1.049700      3.5999999E-03
 C   -1.195200      0.1597000     -2.2000000E-03
 C   0.1982000      0.1657000      2.7999999E-03
 C   -4.011700      0.2242000     -1.6100001E-02
 C   -3.374300     -0.9566000     -7.4000000E-03
 C   -1.232400      -2.239500     -4.9000001E-03
 C   0.1654000      -2.250100     -3.9999999E-04
 C    4.223700     -0.3923000      1.7000000E-03
 C    4.205300      -1.794100     -2.0000001E-03
 C   -5.486300      0.2412000     -1.3000000E-03
 C    5.357700      0.4903000      3.1000001E-03
 C   -3.244900       1.500300     -2.1100000E-02
 C    5.325400      -2.746700     -6.8999999E-03
 C   -6.171000      0.2646000       1.213500    
 C   -6.195700      0.2344000      -1.202100    
 C    5.906600      0.9213000      -1.204200    
 C    5.908200      0.9154000       1.211700    
 C   -7.565800      0.2813000       1.227600    
 C   -7.590400      0.2512000      -1.188100    
 C    7.007400       1.778200      -1.202900    
 C    7.008800       1.772400       1.213100    
 C   -8.275400      0.2745000      2.6799999E-02
 C    7.558400       2.203700      5.7999999E-03
 H   0.7134000       1.122200      4.6000001E-03
 H   -3.920900      -1.895500      1.7000000E-03
 H   -1.769500      -3.184700     -7.3000002E-03
 H   0.6596000      -3.218400     -5.0000002E-04
 H    5.949200      -2.602600     -0.8950000    
 H    4.977200      -3.784900     -8.5000005E-03
 H    5.953400      -2.607000      0.8790000    
 H   -5.632000      0.2712000       2.157800    
 H   -5.675900      0.2173000      -2.157000    
 H    5.489000      0.5987000      -2.155100    
 H    5.491900      0.5882000       2.161500    
 H   -8.099300      0.2997000       2.173400    
 H   -8.143100      0.2463000      -2.123000    
 H    7.435400       2.114100      -2.142900    
 H    7.438000       2.103700       2.154100    
 H   -9.361300      0.2876000      3.7700001E-02
 H    8.415400       2.870900      6.8000001E-03


%chk=000088194-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088194

0 1
O -1.846629 1.290248 0.502670
O -3.722149 2.517304 0.955417
N 2.283330 -1.077886 -0.339268
N 3.051678 0.018990 -0.024541
N 2.999282 -2.208140 -0.699759
C -1.966155 -1.046377 -0.212889
C 0.863299 -1.059959 -0.295323
C -1.204539 0.112988 0.118264
C 0.199984 0.126405 0.082975
C -4.075934 0.203400 0.216516
C -3.401259 -0.958216 -0.143168
C -1.255342 -2.224242 -0.586100
C 0.142849 -2.242420 -0.632116
C 4.342682 -0.422194 -0.191374
C 4.301577 -1.808539 -0.611815
C -5.563457 0.260533 0.240334
C 5.474232 0.484944 0.069869
C -3.295350 1.407049 0.585772
C 5.396499 -2.787958 -0.921276
C -6.275199 1.078184 1.163304
C -6.315181 -0.546341 -0.662843
C 6.817616 0.131176 -0.234454
C 5.222411 1.765379 0.642215
C -7.685868 1.065702 1.193964
C -7.724105 -0.554769 -0.631317
C 7.875209 1.027696 0.031201
C 6.279382 2.657166 0.905104
C -8.418732 0.249156 0.302793
C 7.613941 2.293139 0.602479
H 0.758008 1.028094 0.341277
H -3.980988 -1.860878 -0.367133
H -1.820412 -3.127590 -0.841784
H 0.697654 -3.138177 -0.918143
H 5.971111 -2.489524 -1.817473
H 4.955725 -3.779108 -1.114102
H 6.106907 -2.879838 -0.080127
H -5.722717 1.724602 1.848848
H -5.795035 -1.143277 -1.421157
H 7.047361 -0.836244 -0.687355
H 4.190041 2.043357 0.875663
H -8.213041 1.699243 1.915719
H -8.279680 -1.174664 -1.343733
H 8.903444 0.737497 -0.211641
H 6.065445 3.636470 1.347088
H -9.514042 0.247428 0.326664
H 8.436447 2.986788 0.808256


