%chk=000070574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070574

0 1
 O   -2.004800      0.6265000       2.073000    
 N   0.9773000      0.9686000     -0.5277000    
 N   -3.095000     -8.8399999E-02 -0.9666000    
 N   -3.347000       2.037600      0.8479000    
 C   -1.913800      0.4819000     -0.3192000    
 C  -0.8717000     -0.6168000     -7.5599998E-02
 C   -1.324800       1.593800      -1.196100    
 C   0.4664000     -4.3499999E-02  0.4060000    
 C   3.0800000E-02   2.082500     -0.6719000    
 C   -2.407100       1.044400      0.9900000    
 C    2.282000       1.460300     -8.5000001E-02
 C   -3.686300      -1.125300     -0.1360000    
 C    3.300600      0.3544000     -5.1000002E-03
 C   -4.937500      -1.689900     -0.8039000    
 C   -5.588100      -2.762700      5.5799998E-02
 C    3.450700     -0.3523000       1.179900    
 C    4.075600      5.7300001E-02  -1.117600    
 C    4.394600      -1.376800       1.253800    
 C    5.019300     -0.9673000      -1.043700    
 C    5.178800      -1.684400      0.1420000    
 H  -0.6949000      -1.178800      -1.003900    
 H   -1.184600      -1.345200      0.6818000    
 H   -1.994200       2.455200      -1.300700    
 H   -1.173700       1.210700      -2.216100    
 H   0.3810000      0.3591000       1.422000    
 H    1.123500     -0.9163000      0.4496000    
 H   0.4262000       2.811300      -1.390200    
 H  -0.1047000       2.610100      0.2812000    
 H   -2.843500     -0.4769000      -1.875300    
 H    2.210500       1.965900      0.8884000    
 H    2.651900       2.221000     -0.7859000    
 H   -3.008300      -1.972500      7.0000002E-03
 H   -3.988100     -0.7618000      0.8518000    
 H   -5.663700     -0.8872000     -0.9812000    
 H   -4.684200      -2.119600      -1.780800    
 H   -3.748300       2.490900       1.662200    
 H   -3.716300       2.322500     -5.2999999E-02
 H   -4.902100      -3.598300      0.2279000    
 H   -5.889600      -2.359000       1.027600    
 H   -6.481700      -3.154500     -0.4402000    
 H    2.859200     -0.1146000       2.059700    
 H    3.958400      0.6079000      -2.046700    
 H    4.521400      -1.932800       2.178200    
 H    5.629700      -1.206900      -1.909500    
 H    5.914200      -2.481500      0.1999000    


%chk=000070574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070574

0 1
O -1.912283 1.547615 2.184811
N 1.017165 0.946726 -0.165782
N -3.090734 -0.042881 -0.875737
N -3.791561 1.849100 0.840879
C -1.944972 0.531627 -0.099898
C -0.916835 -0.537736 0.381280
C -1.217554 1.537076 -1.048955
C 0.430036 0.041692 0.859557
C 0.098072 2.073770 -0.458525
C -2.537979 1.339368 1.100393
C 2.377406 1.402227 0.205286
C -3.783895 -1.224923 -0.299795
C 3.424461 0.295024 0.104429
C -5.030823 -1.580046 -1.134208
C -5.765352 -2.826409 -0.595059
C 4.496514 0.225862 1.027665
C 3.366480 -0.653570 -0.947929
C 5.497862 -0.764814 0.899021
C 4.362079 -1.646258 -1.077313
C 5.434573 -1.704418 -0.155435
H -0.723064 -1.212952 -0.477217
H -1.348800 -1.141251 1.200523
H -1.898440 2.370746 -1.302155
H -0.970648 0.995823 -1.985995
H 0.276684 0.575691 1.823999
H 1.139680 -0.788279 1.030401
H 0.582168 2.737460 -1.200091
H -0.114806 2.685015 0.453049
H -2.810208 -0.220486 -1.851347
H 2.409168 1.845530 1.233137
H 2.650916 2.217266 -0.496121
H -3.125193 -2.120933 -0.229395
H -4.090230 -0.972464 0.734173
H -5.713315 -0.708176 -1.147095
H -4.727572 -1.756411 -2.187443
H -4.257878 2.432623 1.533306
H -4.229456 1.557229 -0.040452
H -5.108080 -3.716043 -0.611107
H -6.096735 -2.672632 0.449030
H -6.659448 -3.056875 -1.201807
H 4.545768 0.946901 1.853756
H 2.521931 -0.602773 -1.644420
H 6.320391 -0.806570 1.622413
H 4.304492 -2.374347 -1.895076
H 6.208116 -2.474527 -0.254950


