%chk=000019173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019173

0 1
 O    4.248500      0.5918000      3.0000001E-04
 O    3.495200      -1.588600     -3.1000001E-03
 O   -4.970200       1.596400     -8.9999998E-04
 O   -5.416000     -0.5530000     -8.9999996E-03
 N   0.9057000     -0.7397000      7.6000001E-03
 N   -4.597700      0.3982000     -4.0000002E-03
 C  -0.4524000     -0.4590000      6.6000000E-03
 C    1.933300      0.2716000      9.3000000E-03
 C  -0.9139000      0.8697000      7.1999999E-03
 C   -1.402600      -1.496300      1.6000000E-03
 C   -3.207400      0.1099000     -2.3000001E-03
 C   -2.279900       1.151800      2.7999999E-03
 C   -2.768700      -1.214200     -2.9000000E-03
 C    3.290300     -0.3824000      1.4000000E-03
 C    5.601700      0.1256000     -7.0000002E-03
 C    6.534200       1.318200     -7.4999998E-03
 H    1.856500      0.8959000     -0.8877000    
 H    1.861800      0.8875000      0.9126000    
 H    1.180400      -1.716200      1.0900000E-02
 H  -0.2258000       1.710900      1.0900000E-02
 H   -1.077200      -2.534400      5.0000002E-04
 H   -2.585500       2.195100      3.8999999E-03
 H   -3.462400      -2.051100     -6.3999998E-03
 H    5.782200     -0.4852000      0.8846000    
 H    5.774500     -0.4798000     -0.9038000    
 H    7.579600      0.9973000     -1.3000000E-02
 H    6.353100       1.948600     -0.8844000    
 H    6.360700       1.943300      0.8747000    


%chk=000019173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019173

0 1
O 4.305239 0.602703 -0.000860
O 3.459574 -1.574059 -0.000616
O -5.108414 1.560074 0.005700
O -5.496807 -0.695996 0.000343
N 0.889297 -0.666806 0.001419
N -4.696307 0.327617 0.000287
C -0.466967 -0.403707 0.001535
C 1.925072 0.354318 0.003609
C -0.974946 0.935644 0.004313
C -1.398396 -1.494291 -0.001568
C -3.252153 0.077583 0.000919
C -2.356206 1.171895 0.004012
C -2.775701 -1.258524 -0.001845
C 3.289526 -0.331060 0.000773
C 5.709886 0.067381 -0.003355
C 6.639521 1.274713 -0.005026
H 1.865695 1.020645 -0.882678
H 1.867340 1.015080 0.894299
H 1.233031 -1.632594 0.000187
H -0.286862 1.786142 0.006848
H -1.019310 -2.522950 -0.003829
H -2.764568 2.186386 0.006154
H -3.500204 -2.077331 -0.004182
H 5.833494 -0.568257 0.891916
H 5.830299 -0.568252 -0.899062
H 7.690693 0.932108 -0.006902
H 6.476478 1.896705 -0.900947
H 6.479696 1.896733 0.891456


