%chk=000169713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169713

0 1
 O   -2.586100      -1.401200       1.093800    
 N  -0.4625000       2.320500      0.3207000    
 N    5.165200      0.4200000     -9.8999999E-03
 N   -4.226400     -0.2970000     -0.1281000    
 C   0.7179000       1.476000      0.5822000    
 C   0.5849000      4.1400000E-02  1.7400000E-02
 C    1.967300       2.267300      7.2200000E-02
 C   -1.864200      0.3873000     -0.2666000    
 C   -1.699500       1.611800      0.6391000    
 C    3.164300       1.385600      4.8000000E-02
 C    1.819000     -0.7710000     -6.5499999E-02
 C    2.999300     -1.5500000E-02 -2.7799999E-02
 C  -0.6077000     -0.4271000     -0.3923000    
 C    4.250200     -0.6089000     -7.1599998E-02
 C   -2.916000     -0.5187000      0.2970000    
 C    4.516200       1.634100      6.0199998E-02
 C    1.951200      -2.161800     -0.1558000    
 C    4.398900      -1.993700     -0.1616000    
 C    3.220500      -2.755900     -0.2038000    
 C   -5.345200      -1.104500      0.3409000    
 C   -4.572300      0.7607000      -1.074300    
 C   -5.967400     -0.5177000       1.591000    
 C   -4.507500      0.2682000      -2.505200    
 H   0.8239000       1.372400       1.672500    
 H    2.145800       3.138200      0.7145000    
 H    1.796900       2.638000     -0.9475000    
 H   -2.089600      0.7043000      -1.287000    
 H   -2.538500       2.304600      0.5213000    
 H   -1.701900       1.328400       1.700500    
 H  -0.4746000       2.599100     -0.6606000    
 H  -0.6930000      -1.410900     -0.8472000    
 H    5.081400       2.554400      0.1048000    
 H    1.075200      -2.804700     -0.1782000    
 H    6.168800      0.3032000     -2.2100000E-02
 H    5.375200      -2.463600     -0.1967000    
 H    3.295500      -3.839100     -0.2712000    
 H   -6.088700      -1.206000     -0.4569000    
 H   -4.974300      -2.109600      0.5714000    
 H   -5.588300       1.109500     -0.8531000    
 H   -3.934000       1.636400     -0.9559000    
 H   -5.231900     -0.4398000       2.398600    
 H   -6.363000      0.4860000       1.404900    
 H   -6.790800      -1.148800       1.939300    
 H   -3.519300     -0.1221000      -2.765400    
 H   -5.229300     -0.5375000      -2.676000    
 H   -4.745100       1.082100      -3.197400    


%chk=000169713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169713

0 1
O -2.766420 -1.536978 0.971138
N -0.426125 2.306045 0.357393
N 5.318439 0.431924 0.054045
N -4.312612 -0.261185 -0.202102
C 0.795139 1.483439 0.531779
C 0.651042 0.044320 -0.030328
C 2.016119 2.273632 -0.038155
C -1.867767 0.339890 -0.322251
C -1.670637 1.567485 0.638895
C 3.254993 1.415717 0.020200
C 1.899757 -0.758019 -0.056670
C 3.104987 -0.014338 -0.005618
C -0.567410 -0.445089 -0.402192
C 4.394818 -0.622807 0.008411
C -3.007766 -0.562995 0.184382
C 4.624525 1.665757 0.063213
C 2.030012 -2.166761 -0.091239
C 4.522090 -2.030150 -0.035161
C 3.319310 -2.776946 -0.086178
C -5.406163 -1.118840 0.321509
C -4.700761 0.834906 -1.118095
C -5.973603 -0.598344 1.658983
C -4.792503 0.390829 -2.595972
H 0.970224 1.371262 1.623693
H 2.115246 3.217331 0.528153
H 1.792955 2.549768 -1.092535
H -2.116846 0.728892 -1.332426
H -2.527123 2.264624 0.576600
H -1.623096 1.188886 1.677050
H -0.444824 2.731310 -0.582187
H -0.648240 -1.476475 -0.767266
H 5.170254 2.607119 0.097760
H 1.139841 -2.805209 -0.091692
H 6.330306 0.333658 0.085196
H 5.493940 -2.535459 -0.025080
H 3.382092 -3.871123 -0.109053
H -6.200687 -1.169460 -0.447015
H -4.995280 -2.132203 0.465805
H -5.684002 1.217805 -0.783529
H -3.994716 1.676195 -1.017397
H -5.184841 -0.606890 2.429998
H -6.361242 0.432905 1.562267
H -6.802228 -1.244417 2.003414
H -3.810220 0.048185 -2.967372
H -5.508256 -0.442248 -2.714752
H -5.132221 1.228451 -3.233020


