%chk=000083425.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083425

0 1
 O    1.414800      -2.673900      1.3000000E-03
 O    1.439400       2.672300      2.3000001E-03
 O   -4.028900       2.289700     -8.9999998E-04
 N   -4.461100     -6.3000000E-03 -2.0000001E-03
 N   -1.178100      -2.818300      8.9999998E-04
 N   -1.158500       2.840100      7.9999998E-04
 N   -4.095800      -2.359300     -1.2000001E-03
 C   0.1002000     -0.7003000      1.2000001E-03
 C   0.1075000      0.7114000      1.3000000E-03
 C   -2.274100     -0.6751000      1.9999999E-04
 C   -2.263700      0.7050000      3.0000001E-04
 C   -1.109400      -1.413600      8.9999998E-04
 C   -1.094600       1.435200      8.9999998E-04
 C    1.374200      -1.449700      1.4000000E-03
 C    1.388300       1.448700      1.4000000E-03
 C    2.649100     -0.7047000      3.9999999E-04
 C    2.655800      0.6912000     -9.9999997E-05
 C   -3.684800      -1.057700     -1.4000000E-03
 C   -3.660800       1.127300     -1.0000000E-03
 C    3.859700      -1.408500       0.000000    
 C    3.873300       1.383300     -2.0000001E-03
 C    5.070300     -0.7151000     -1.7000000E-03
 C    5.077200      0.6782000     -3.0000000E-03
 H    3.884700      -2.494900      7.9999998E-04
 H    3.908700       2.469400     -2.7000001E-03
 H  -0.3290000      -3.351300      0.1339000    
 H   -1.898700      -3.260100     -0.5531000    
 H  -0.3166000       3.397900      1.8000000E-03
 H   -2.055600       3.307100      1.2000001E-03
 H    6.008700      -1.262200     -2.2000000E-03
 H    6.020800       1.216000     -4.6000001E-03
 H   -3.482200      -3.138700      0.1937000    
 H   -5.086600      -2.577500     -2.8300000E-02


%chk=000083425-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083425

0 1
O 1.458257 -2.768077 -0.123289
O 1.440590 2.755807 0.029163
O -4.108309 2.349375 -0.094919
N -4.581617 -0.007605 0.029895
N -1.120086 -2.853860 -0.246514
N -1.177904 2.819417 -0.079972
N -4.223576 -2.342983 0.245991
C 0.142191 -0.730811 -0.066406
C 0.146272 0.714456 -0.027719
C -2.303138 -0.713506 -0.051605
C -2.294965 0.682761 -0.065151
C -1.102693 -1.475979 -0.124122
C -1.101751 1.456713 -0.067685
C 1.420281 -1.474609 -0.071828
C 1.414944 1.463599 0.016570
C 2.693851 -0.716061 -0.013933
C 2.692592 0.706111 0.035371
C -3.756060 -1.071017 0.067274
C -3.731928 1.142547 -0.053684
C 3.925615 -1.419969 -0.002837
C 3.921988 1.409683 0.095202
C 5.142213 -0.714798 0.056432
C 5.140402 0.704544 0.106134
H 3.896760 -2.512944 -0.040547
H 3.889228 2.502712 0.130167
H -0.183798 -3.302758 -0.257400
H -1.932412 -3.317653 -0.649623
H -0.290390 3.340404 -0.048428
H -2.108385 3.249913 -0.099252
H 6.091854 -1.260391 0.064650
H 6.088791 1.250464 0.152602
H -3.603521 -3.098343 0.533417
H -5.231095 -2.461541 0.362544


