%chk=000085404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085404

0 1
 O    5.120300       1.257300      6.3600004E-02
 N   0.3743000      0.4090000     -1.6000001E-02
 N   -2.378600       1.784600     -4.4999998E-03
 N  -0.9364000      -1.598500     -4.1999999E-03
 N   -4.318400      0.6867000      8.5000005E-03
 N   -3.375500      -1.554100      8.8999998E-03
 C    4.202600      0.1571000      1.5000000E-03
 C    2.777600      0.7452000      5.1000002E-03
 C    1.645000     -0.2784000     -2.1199999E-02
 C    4.507700     -0.6286000      -1.275500    
 C    4.474300     -0.7072000       1.233200    
 C  -0.8499000     -0.2392000     -7.8999996E-03
 C   -2.053700      0.4580000     -3.1999999E-03
 C   -3.274600     -0.2030000      4.9999999E-03
 C   -3.745800       1.871500      2.7000001E-03
 C   -2.168800      -2.160300      3.8999999E-03
 H    2.674400       1.427700     -0.8505000    
 H    2.663500       1.392300      0.8866000    
 H    1.716200     -0.9012000     -0.9190000    
 H    1.706000     -0.9323000      0.8549000    
 H    5.561600     -0.9288000      -1.308400    
 H    4.336800     -7.6000001E-03  -2.162100    
 H    3.896700      -1.532200      -1.359900    
 H    5.529200      -1.002700       1.280200    
 H    4.270500     -0.1479000       2.153400    
 H    3.869900      -1.619200       1.239300    
 H   0.3680000       1.423100     -2.1299999E-02
 H    6.024800      0.9003000      4.9199998E-02
 H   -1.732100       2.562400     -9.8000001E-03
 H   -4.256800       2.823700      3.3000000E-03
 H   -2.187800      -3.244800      6.6000000E-03


%chk=000085404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085404

0 1
O 5.133958 1.290426 0.016542
N 0.387985 0.496136 -0.001068
N -2.511766 1.879010 0.018407
N -0.852236 -1.509539 -0.030006
N -4.422698 0.617475 -0.002379
N -3.310466 -1.606091 -0.033998
C 4.240498 0.095638 0.000852
C 2.835993 0.746449 0.006087
C 1.662303 -0.248843 -0.012030
C 4.507448 -0.719677 -1.284175
C 4.502615 -0.748751 1.267951
C -0.835629 -0.138963 -0.010793
C -2.090992 0.539936 -0.001653
C -3.296047 -0.233511 -0.014169
C -3.912972 1.856816 0.016771
C -2.068086 -2.151918 -0.040062
H 2.779688 1.414062 -0.876383
H 2.773888 1.388102 0.907167
H 1.691705 -0.895037 -0.909159
H 1.688437 -0.924369 0.863117
H 5.553229 -1.082286 -1.302289
H 4.345523 -0.091349 -2.177555
H 3.852083 -1.606398 -1.352834
H 5.547279 -1.114745 1.280185
H 4.340997 -0.139540 2.174504
H 3.844409 -1.634785 1.316346
H 0.431184 1.514262 0.003233
H 6.075244 0.977475 0.011836
H -1.932837 2.717029 0.032844
H -4.503546 2.770832 0.030290
H -2.016192 -3.244949 -0.055178


