%chk=000012654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012654

0 1
 O  -0.9788000       2.889100     -3.7000000E-03
 N    2.757000      0.1069000      4.1000000E-03
 N   -1.556900      -1.732800      6.5000001E-03
 N   0.6125000     -0.8421000      5.5999998E-03
 N   -1.306400      0.5987000      1.6000000E-03
 N   0.9008000       1.540100      6.0000003E-04
 C    3.408600      -1.179900      6.8000001E-03
 C   -2.982600      -1.631600      5.5000000E-03
 C    1.380500      0.2736000      3.5000001E-03
 C  -0.7090000     -0.6038000      4.3000001E-03
 C    4.914600      -1.002700     -1.5699999E-02
 C   -3.604400      -3.014800     -1.3900000E-02
 C  -0.4394000       1.624100     -3.9999999E-04
 C   -2.396600       2.975000     -4.6999999E-03
 H    3.125800      -1.744500      0.9026000    
 H    3.103200      -1.760500     -0.8712000    
 H   -3.326500      -1.075800     -0.8746000    
 H   -3.328500      -1.097500      0.8980000    
 H    3.317600      0.9515000      4.1000000E-03
 H   -1.102600      -2.639000      1.0600000E-02
 H    5.233200     -0.4560000     -0.9097000    
 H    5.257800     -0.4409000      0.8597000    
 H    5.414100      -1.976400     -1.4200000E-02
 H   -3.297400      -3.572100     -0.9055000    
 H   -3.301200      -3.595200      0.8641000    
 H   -4.696400      -2.942900     -1.5300000E-02
 H   -2.818500       2.516800     -0.9056000    
 H   -2.670000       4.034400     -7.4999998E-03
 H   -2.819500       2.521100      0.8979000    


%chk=000012654-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012654

0 1
O -0.935007 2.920942 -0.003171
N 2.745712 0.108018 0.002301
N -1.560784 -1.743843 0.004115
N 0.613173 -0.886954 0.004123
N -1.333803 0.597881 0.000788
N 0.909721 1.547954 -0.000254
C 3.437561 -1.189625 0.005791
C -3.030447 -1.672768 0.004673
C 1.384602 0.247933 0.002164
C -0.741187 -0.647340 0.002960
C 4.960838 -0.981455 -0.014260
C -3.632152 -3.087480 -0.012670
C -0.441769 1.631678 -0.000813
C -2.403021 3.073966 -0.003827
H 3.134593 -1.767243 0.900526
H 3.112669 -1.781692 -0.871283
H -3.370445 -1.093100 -0.874692
H -3.372547 -1.114423 0.897245
H 3.280382 0.977968 0.002797
H -1.092068 -2.650807 0.007906
H 5.278397 -0.433300 -0.920376
H 5.299959 -0.416091 0.873397
H 5.477190 -1.956798 -0.010790
H -3.322202 -3.644153 -0.916308
H -3.323776 -3.665988 0.877825
H -4.734214 -3.030715 -0.012617
H -2.845361 2.607438 -0.900466
H -2.559153 4.162520 -0.005613
H -2.845861 2.610275 0.894031


