%chk=000059890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059890

0 1
 O   -1.807900      0.4143000      -1.743300    
 O    4.936900      -1.150700      -1.006600    
 N   -5.783200     -6.3000001E-02  0.5386000    
 N   -2.233500       1.060700      0.4425000    
 N    4.152700      0.4374000      0.5345000    
 C   -4.334700     -0.1804000      0.6459000    
 C   -6.204500     -0.1291000     -0.8622000    
 C   -6.445200      -1.111800       1.317000    
 C   -3.670400       1.147900      0.3146000    
 C   -7.706300      5.9099998E-02 -0.9932000    
 C   -6.101400      -2.491800      0.7828000    
 C   -1.383900      0.6949000     -0.6081000    
 C   3.8800001E-02  0.6291000     -0.3142000    
 C    2.767900      0.5014000      0.2493000    
 C   0.8639000     -0.2213000      -1.050300    
 C   0.5784000       1.415800      0.7035000    
 C    6.486800     -0.1124000      0.5211000    
 C    7.601800     -0.9391000     -0.1156000    
 C    2.228500     -0.2852000     -0.7686000    
 C    1.942900       1.351800      0.9853000    
 C    5.113600     -0.3483000     -9.6100003E-02
 C    8.958900     -0.6792000      0.5232000    
 H   -4.043000     -0.4390000       1.673200    
 H   -3.926100     -0.9688000      3.0000001E-04
 H   -5.751300      0.7020000      -1.414600    
 H   -5.882400      -1.037100      -1.384300    
 H   -7.530600     -0.9716000       1.358100    
 H   -6.123900      -1.042300       2.364600    
 H   -3.895000       1.480200     -0.7032000    
 H   -4.004400       1.930100       1.005700    
 H   -8.270200     -0.8257000     -0.6835000    
 H   -8.058200      0.9230000     -0.4186000    
 H   -7.962200      0.2419000      -2.043000    
 H   -6.516100      -2.688700     -0.2096000    
 H   -5.028700      -2.703000      0.7700000    
 H   -6.547900      -3.242200       1.446800    
 H   -1.856700       1.215000       1.371500    
 H    6.421900     -0.3460000       1.590900    
 H    6.721500      0.9549000      0.4265000    
 H   0.4612000     -0.8451000      -1.844400    
 H  -2.1500001E-02   2.114100       1.279600    
 H    7.660800     -0.7152000      -1.187500    
 H    7.364100      -2.006300     -3.1099999E-02
 H    2.801800     -0.9662000      -1.381400    
 H    2.352300       1.975000       1.776300    
 H    4.465600       1.045300       1.288400    
 H    9.243400      0.3728000      0.4214000    
 H    9.728700      -1.288900      4.0199999E-02
 H    8.943600     -0.9301000       1.588500    


%chk=000059890-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059890

0 1
O -1.864590 0.279371 -1.536057
O 5.052625 -1.242466 -1.063778
N -5.872048 -0.136649 0.358746
N -2.236371 0.949811 0.657301
N 4.266611 0.158150 0.650298
C -4.443387 -0.267346 0.723606
C -6.117791 -0.354024 -1.091338
C -6.811316 -0.827823 1.275223
C -3.691120 1.067194 0.466162
C -7.464044 0.218774 -1.572088
C -6.772273 -2.381722 1.262651
C -1.402752 0.556639 -0.381223
C 0.068469 0.472006 -0.073674
C 2.875468 0.232483 0.366026
C 0.883338 -0.294517 -0.944347
C 0.687522 1.138354 1.016847
C 6.663455 -0.426989 0.597432
C 7.763181 -0.220491 -0.472583
C 2.268369 -0.427849 -0.737898
C 2.071803 1.021759 1.234451
C 5.268540 -0.546848 -0.028830
C 9.181868 -0.289020 0.128373
H -4.368812 -0.524684 1.798170
H -3.924078 -1.074357 0.156901
H -5.300620 0.146427 -1.642502
H -6.052332 -1.436133 -1.367428
H -7.836978 -0.487990 1.039140
H -6.597461 -0.468440 2.300628
H -3.860105 1.382271 -0.576903
H -4.091477 1.850781 1.133443
H -8.326378 -0.313608 -1.130943
H -7.542569 1.286551 -1.301021
H -7.544663 0.127045 -2.670911
H -7.046586 -2.788418 0.272354
H -5.765712 -2.760549 1.519803
H -7.487341 -2.787601 2.002732
H -1.857774 1.036748 1.600482
H 6.867924 -1.374736 1.136258
H 6.703927 0.385306 1.350667
H 0.400657 -0.781455 -1.797953
H 0.108121 1.788366 1.683364
H 7.610212 0.755781 -0.972459
H 7.633934 -0.995291 -1.249711
H 2.887494 -1.024905 -1.409015
H 2.535755 1.554075 2.075052
H 4.575742 0.689800 1.467600
H 9.333669 0.486790 0.902830
H 9.949308 -0.138385 -0.652143
H 9.367386 -1.273989 0.597162


