%chk=000064548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064548

0 1
 O   0.7128000     -0.4980000       1.600700    
 O   -3.906800      -2.389300      -1.634400    
 O   -4.780600       1.030500       1.569100    
 N    1.381200     -0.2632000     -0.6118000    
 N   -3.902700     -7.4800000E-02 -0.2729000    
 N   -3.215200      -3.620000      0.1768000    
 N   -6.251100       2.638100     -0.1217000    
 C    2.779400      6.8999999E-03 -0.3575000    
 C    4.907500     -0.9009000      0.6677000    
 C    4.415100       1.569200      0.7794000    
 C    5.021600      0.5038000      -1.422900    
 C    3.419700      -1.180700      0.3933000    
 C    2.929300       1.280300      0.5042000    
 C    3.533400      0.2190000      -1.689100    
 C    5.033500      0.3724000       1.521600    
 C    5.637100     -0.6876000     -0.6695000    
 C    5.147400       1.769400     -0.5582000    
 C   0.4607000     -0.4943000      0.3989000    
 C  -0.9287000     -0.7497000     -0.1617000    
 C   -1.961000      -1.007600      0.9402000    
 C   -3.392200      -1.220800      0.4331000    
 C   -3.528100      -2.441500     -0.4666000    
 C   -4.564400      0.9723000      0.3604000    
 C   -5.011700       2.048100     -0.6210000    
 C   -3.936100       3.118400     -0.7580000    
 H    5.352100      -1.749300       1.199800    
 H    4.509600       2.473500       1.391100    
 H    5.546000      0.6514000      -2.373600    
 H    3.318200      -2.100400     -0.1983000    
 H    2.925600      -1.379200       1.350300    
 H    2.472600       2.137900     -7.4999998E-03
 H    2.412500       1.190300       1.465800    
 H    3.433200     -0.6683000      -2.328100    
 H    3.089300       1.052700      -2.249000    
 H    4.529900      0.2284000       2.485500    
 H    6.089400      0.5729000       1.740800    
 H    6.703700     -0.5057000     -0.4890000    
 H    5.568100      -1.594500      -1.282700    
 H    4.725700       2.630600      -1.090900    
 H    6.205300       1.994600     -0.3757000    
 H    1.063300     -0.2836000      -1.576900    
 H  -0.8695000      -1.612000     -0.8356000    
 H   -1.216500      0.1258000     -0.7552000    
 H   -1.957500     -0.1525000       1.629700    
 H   -1.638600      -1.871500       1.534400    
 H   -4.039200      -1.392800       1.303300    
 H   -3.744800     -2.2500001E-02  -1.275400    
 H   -3.271000      -4.508200     -0.3106000    
 H   -2.939400      -3.655600       1.152600    
 H   -5.208700       1.599200      -1.601200    
 H   -3.002500       2.682600      -1.131100    
 H   -4.244500       3.902700      -1.457700    
 H   -3.711900       3.588600      0.2065000    
 H   -6.987600       1.933200     -0.1166000    
 H   -6.563400       3.370100     -0.7587000    


%chk=000064548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064548

0 1
O 0.586056 -0.980694 1.118835
O -3.827684 -2.638330 -0.011396
O -4.538212 2.089649 0.804312
N 1.482634 0.549602 -0.392601
N -4.171699 -0.017488 -0.105914
N -1.793826 -2.503569 1.111677
N -6.283546 2.834632 -1.097154
C 2.931232 0.274380 -0.149412
C 4.796094 -1.447802 -0.245813
C 4.821605 0.348091 1.547057
C 5.271943 0.961881 -0.870839
C 3.277621 -1.208356 -0.471311
C 3.303915 0.592925 1.328069
C 3.751671 1.200681 -1.090207
C 5.154607 -1.135982 1.232887
C 5.612775 -0.520223 -1.185252
C 5.637168 1.274889 0.605698
C 0.429524 -0.067020 0.230363
C -0.976791 0.381893 -0.195436
C -1.947078 0.438645 1.017725
C -3.207877 -0.456022 0.917592
C -2.952303 -1.961645 0.626233
C -4.816180 1.194229 -0.062267
C -5.939716 1.408056 -1.111100
C -5.539013 0.947734 -2.536717
H 5.030067 -2.506665 -0.470690
H 5.073934 0.571378 2.601962
H 5.840865 1.629042 -1.547326
H 3.004977 -1.425928 -1.523354
H 2.678481 -1.870965 0.177507
H 3.048339 1.648760 1.548224
H 2.704313 -0.046557 1.999496
H 3.485367 0.992529 -2.147285
H 3.503818 2.262433 -0.881375
H 4.584817 -1.802922 1.909391
H 6.231678 -1.328097 1.409380
H 6.698049 -0.693594 -1.044160
H 5.379673 -0.750010 -2.244451
H 5.420534 2.337399 0.836333
H 6.722893 1.120537 0.764213
H 1.261196 1.287603 -1.065963
H -1.345393 -0.347288 -0.945003
H -0.937125 1.358042 -0.712320
H -2.309314 1.467707 1.174349
H -1.401060 0.147000 1.934191
H -3.700444 -0.404791 1.914102
H -4.527840 -0.786511 -0.689927
H -1.660884 -3.504748 0.957625
H -0.963146 -1.933149 1.371129
H -6.785619 0.757358 -0.771267
H -5.349773 -0.140848 -2.600604
H -6.358476 1.185008 -3.238482
H -4.640456 1.495036 -2.868162
H -5.961623 3.304798 -0.242844
H -7.241269 3.055686 -1.373618


