%chk=000050075.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050075

0 1
 O    2.173700       1.100400      8.3099999E-02
 O   -5.391900     -0.5477000      3.6899999E-02
 O   -4.347000       1.484200      0.1356000    
 N   -9.072500     -0.3015000      8.3400004E-02
 N   -3.139000     -0.5233000      2.8899999E-02
 C    7.030300      0.3226000      7.9999998E-02
 C    8.183400     -0.6808000     -1.3200000E-02
 C    5.648200     -0.3291000     -6.0000001E-03
 C    9.565100     -2.3300000E-02 -1.4000000E-03
 C    4.537600      0.7178000      6.8700001E-02
 C    10.67400      -1.063200     -0.1695000    
 C    3.157600      7.6899998E-02  2.5500000E-02
 C    12.04800     -0.4127000     -0.1970000    
 C   0.8629000      0.6996000      7.1800001E-02
 C   -7.761600     -0.9312000      2.7899999E-02
 C  -0.1572000       1.649500      0.1237000    
 C   0.5492000     -0.6580000      5.9000002E-03
 C   -1.804800     -0.1157000      4.4000000E-02
 C   -6.660600      0.1161000      7.6300003E-02
 C   -1.491100       1.241800      0.1097000    
 C  -0.7846000      -1.065600     -7.8999996E-03
 C   -10.08490      -1.252500      0.5487000    
 C   -9.446700      0.2332000      -1.228200    
 C   -4.288200      0.2623000      7.3100001E-02
 H    7.114200      0.8770000       1.023000    
 H    7.130800       1.057200     -0.7288000    
 H    8.111100      -1.390900      0.8199000    
 H    8.071200      -1.263700     -0.9360000    
 H    5.534700      -1.049700      0.8127000    
 H    5.564000     -0.8894000     -0.9449000    
 H    9.626200      0.7121000     -0.8129000    
 H    9.704800      0.5213000      0.9400000    
 H    4.633900       1.432600     -0.7582000    
 H    4.633300       1.309000      0.9882000    
 H    10.63320      -1.786800      0.6529000    
 H    10.52420      -1.621400      -1.101000    
 H    3.066800     -0.4869000     -0.9115000    
 H    3.065000     -0.5929000      0.8897000    
 H    12.13200      0.2921000      -1.030400    
 H    12.24340      0.1301000      0.7333000    
 H    12.82540      -1.173700     -0.3161000    
 H   -7.612200      -1.587900      0.8963000    
 H   -7.644300      -1.582600     -0.8485000    
 H   8.2699999E-02   2.708200      0.1744000    
 H    1.288700      -1.450000     -3.8699999E-02
 H   -6.717800      0.7955000     -0.7806000    
 H   -6.730800      0.6993000       1.002700    
 H   -2.226000       2.033800      0.1519000    
 H   -1.016000      -2.126600     -5.9999999E-02
 H   -11.06630     -0.7693000      0.6141000    
 H   -10.17030      -2.121000     -0.1144000    
 H   -9.845800      -1.608200       1.557200    
 H   -9.485000     -0.5461000      -1.998100    
 H   -10.43380      0.7073000      -1.177100    
 H   -8.755300       1.014000      -1.559500    
 H   -3.295300      -1.527200     -2.0900000E-02


%chk=000050075-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050075

0 1
O 2.201498 0.885605 0.011106
O -5.535604 -0.545518 0.139202
O -4.420114 1.532595 0.094539
N -9.268349 -0.287360 0.070346
N -3.278591 -0.549424 0.102203
C 7.156954 0.308962 -0.042859
C 8.359013 -0.661689 -0.057515
C 5.789822 -0.411538 -0.033261
C 9.725799 0.059535 -0.062856
C 4.597959 0.572672 -0.019360
C 10.929508 -0.910112 -0.078198
C 3.249735 -0.150449 -0.003057
C 12.291034 -0.181822 -0.081534
C 0.862631 0.460674 0.031807
C -7.917028 -0.888055 -0.004634
C -0.109509 1.491069 0.044880
C 0.444871 -0.893146 0.040361
C -1.906315 -0.166771 0.076356
C -6.831515 0.180215 0.180554
C -1.482209 1.190684 0.066829
C -0.933305 -1.195892 0.062477
C -10.305737 -1.267305 0.450882
C -9.643182 0.465462 -1.144997
C -4.387581 0.276384 0.110287
H 7.228511 0.968285 0.847150
H 7.212667 0.975767 -0.928378
H 8.301938 -1.330460 0.827029
H 8.289144 -1.319699 -0.949195
H 5.735496 -1.076948 0.853940
H 5.719652 -1.071239 -0.923607
H 9.784800 0.729024 -0.946601
H 9.797819 0.716839 0.829064
H 4.639452 1.230519 -0.908637
H 4.660085 1.230131 0.869056
H 10.869142 -1.579428 0.804433
H 10.857620 -1.565819 -0.970149
H 3.130483 -0.789355 -0.904057
H 3.154068 -0.790563 0.899889
H 12.389131 0.470944 -0.969553
H 12.401681 0.455778 0.815979
H 13.133941 -0.897231 -0.093512
H -7.816840 -1.626042 0.811965
H -7.739590 -1.433694 -0.965354
H 0.232142 2.530691 0.037973
H 1.169181 -1.712428 0.030052
H -6.835343 0.945172 -0.615412
H -6.941009 0.686053 1.155484
H -2.227144 1.988840 0.076874
H -1.249055 -2.247105 0.069014
H -11.271723 -0.747739 0.584111
H -10.455324 -2.078337 -0.306973
H -10.039149 -1.740735 1.412297
H -9.716220 -0.182335 -2.055964
H -10.623726 0.949241 -0.989429
H -8.908025 1.261927 -1.350216
H -3.486993 -1.549830 0.117869


