%chk=000116319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116319

2 1
 O    5.231600       1.701000     -0.1359000    
 O  -0.2234000     -9.7700000E-02 -0.6492000    
 N    3.389300     -0.4942000      0.2196000    
 N   -3.855600      0.1605000     -9.8000001E-03
 C    4.676500     -0.6116000     -0.6045000    
 C    3.543300      0.6386000       1.241100    
 C    2.169900     -0.2789000     -0.6745000    
 C    3.175200      -1.808000      0.9780000    
 C    5.073700      0.7400000      -1.177200    
 C    4.006700       1.917200      0.5607000    
 C   -2.609600      0.1006000     -0.8146000    
 C   0.9186000     -0.2617000      0.1810000    
 C   -4.060000      -1.142100      0.7755000    
 C   -3.799600       1.319800      0.9945000    
 C   -5.078300      0.3701000     -0.9134000    
 C   -1.423000     -7.5599998E-02  0.1123000    
 C    3.021200      -2.937900     -1.6400000E-02
 C   -5.356300      -1.058200       1.551400    
 C   -3.598400       2.618800      0.2452000    
 C   -5.201800     -0.8006000      -1.863900    
 H    5.458300     -0.9819000      6.8499997E-02
 H    4.518300      -1.312000      -1.428200    
 H    2.631800      0.7672000       1.825600    
 H    4.329100      0.3069000       1.932400    
 H    2.139900      -1.030900      -1.468800    
 H    2.276200      0.6816000      -1.188200    
 H    2.354600      -1.720300       1.693600    
 H    4.079600      -1.977700       1.576600    
 H    4.357600       1.110500      -1.918600    
 H    6.038900      0.6482000      -1.686100    
 H    4.198900       2.680000       1.322500    
 H    3.256700       2.332400     -0.1204000    
 H   -2.516500      0.9719000      -1.470400    
 H   -2.637500     -0.7770000      -1.468900    
 H   0.9179000      0.5700000      0.8884000    
 H   0.7613000      -1.195700      0.7213000    
 H   -3.255000      -1.236000       1.509900    
 H   -4.006000      -2.001600      0.1023000    
 H   -3.044400       1.130800       1.761200    
 H   -4.768900       1.401500       1.493400    
 H   -4.896100       1.256600      -1.528400    
 H   -5.977400      0.5573000     -0.3215000    
 H   -1.468300      -1.021200      0.6583000    
 H   -1.324000      0.7468000      0.8235000    
 H    3.877600      -3.082700     -0.6774000    
 H    2.940400      -3.873200      0.5525000    
 H    2.105000      -2.889400     -0.6092000    
 H   -5.466200      -1.999600       2.106300    
 H   -6.254800     -0.9977000      0.9344000    
 H   -5.380600     -0.2844000       2.320900    
 H   -3.564500       3.431600      0.9819000    
 H   -4.416000       2.880200     -0.4296000    
 H   -2.649100       2.677800     -0.2919000    
 H   -6.058000     -0.6098000      -2.523700    
 H   -5.425000      -1.750900      -1.374200    
 H   -4.348700     -0.9273000      -2.533600    


%chk=000116319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116319

2 1
O 5.127851 1.689646 -1.046201
O -0.212065 -0.108034 -0.083766
N 3.543238 -0.507541 0.190213
N -3.991161 0.196474 0.050437
C 4.512845 -0.704284 -1.012683
C 4.000526 0.770806 0.947354
C 2.104471 -0.389944 -0.336690
C 3.698531 -1.709989 1.168289
C 4.658766 0.568647 -1.862600
C 4.164535 1.982863 0.015878
C -2.525633 0.142439 -0.414366
C 0.993170 -0.326519 0.729919
C -4.401933 -1.200391 0.608914
C -4.197772 1.261502 1.167102
C -4.877887 0.583197 -1.173963
C -1.466348 -0.068617 0.686558
C 3.292091 -3.072985 0.600275
C -5.883971 -1.365943 0.965042
C -3.732624 2.682704 0.828434
C -4.888897 -0.423070 -2.329735
H 5.489581 -0.967927 -0.572319
H 4.142014 -1.549705 -1.614539
H 3.280521 0.965068 1.759644
H 4.978677 0.519929 1.391482
H 1.925546 -1.257416 -0.991342
H 2.043376 0.517107 -0.956449
H 3.108735 -1.452799 2.065687
H 4.762989 -1.714474 1.459819
H 3.721959 0.834323 -2.395668
H 5.441324 0.396940 -2.618738
H 4.595223 2.816118 0.593691
H 3.198158 2.323999 -0.412680
H -2.308339 1.084388 -0.943088
H -2.443272 -0.681542 -1.140339
H 1.130242 0.512847 1.443158
H 0.903346 -1.272993 1.300958
H -3.777492 -1.363379 1.503952
H -4.102301 -1.933626 -0.158330
H -3.675015 0.875365 2.059435
H -5.277450 1.257935 1.385968
H -4.502988 1.560627 -1.518587
H -5.893233 0.730934 -0.771796
H -1.605751 -1.022675 1.234178
H -1.440338 0.767939 1.413826
H 3.905213 -3.379994 -0.262724
H 3.461148 -3.826608 1.389550
H 2.226072 -3.133602 0.322473
H -6.021285 -2.397750 1.334787
H -6.555482 -1.248858 0.098963
H -6.218967 -0.695752 1.773487
H -3.923853 3.312874 1.715112
H -4.293806 3.137182 -0.003957
H -2.653299 2.752606 0.611677
H -5.560166 -0.019689 -3.108655
H -5.290707 -1.409996 -2.047434
H -3.903015 -0.556257 -2.805313


