%chk=000177373.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177373

0 1
 O  -0.8613000     -0.3747000       2.231300    
 O    1.437800      -1.336700     -0.9717000    
 N   0.6967000      0.7321000      0.9097000    
 N    3.127900     -0.8378000      -2.451100    
 C    2.435200      0.8369000     -0.8596000    
 C    1.095200       1.376900     -0.3498000    
 C    3.509100      0.8514000      0.2333000    
 C    1.692000      0.8072000       1.979800    
 C    3.018500      0.2054000       1.530300    
 C   -1.506600      8.1699997E-02 -1.7000000E-03
 C  -0.5346000      0.1227000       1.150400    
 C   -2.384100      -1.174300      0.1141000    
 C   -2.372500       1.351200      2.1700000E-02
 C    2.265600     -0.5475000      -1.420200    
 C   -1.568300      -2.468800      3.1599998E-02
 C   -3.380100       1.395900      -1.131900    
 C   -2.466200      -3.695200      8.3300002E-02
 C   -4.204400       2.673700      -1.099600    
 H    2.766200       1.490900      -1.677500    
 H    1.204000       2.444700     -0.1185000    
 H   0.3422000       1.322100      -1.134100    
 H    4.417600      0.3394000     -0.1051000    
 H    3.789800       1.891800      0.4416000    
 H    1.817000       1.865300       2.238400    
 H    1.339300      0.2910000       2.878200    
 H    3.770700      0.3386000       2.315800    
 H    2.900600     -0.8746000       1.381100    
 H  -0.9960000     -1.2300000E-02 -0.9614000    
 H   -3.108400      -1.209000     -0.7059000    
 H   -2.964700      -1.162100       1.045500    
 H   -1.728600       2.238200     -2.7899999E-02
 H   -2.908700       1.418600      0.9777000    
 H   -1.004900      -2.489000     -0.9081000    
 H  -0.8417000      -2.535600      0.8474000    
 H   -2.854000       1.326000      -2.090700    
 H   -4.083900      0.5609000      -1.077700    
 H   -3.178800      -3.696700     -0.7476000    
 H   -1.865600      -4.607700      1.6000001E-02
 H   -3.030400      -3.728200       1.020800    
 H   -4.917100       2.686800      -1.930200    
 H   -4.769600       2.752900     -0.1655000    
 H   -3.562900       3.556100      -1.189300    
 H    3.812800     -0.1717000      -2.793900    
 H    3.109600      -1.744700      -2.905500    


%chk=000177373-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177373

0 1
O -0.643790 -0.440930 2.249018
O 1.026449 -0.626498 -2.291195
N 0.714882 0.801116 0.839759
N 3.131995 -1.330295 -1.654470
C 2.384794 0.976231 -1.013433
C 1.055310 1.510144 -0.405953
C 3.508556 1.023330 0.057691
C 1.753212 0.890300 1.889538
C 3.088757 0.314678 1.369450
C -1.541266 0.013629 0.005216
C -0.464148 0.091928 1.105741
C -2.363567 -1.289228 0.169933
C -2.426426 1.298342 0.092853
C 2.118034 -0.391995 -1.687132
C -1.544513 -2.571902 -0.103594
C -3.411058 1.471927 -1.087028
C -2.407978 -3.848889 -0.019910
C -4.198652 2.797657 -1.001331
H 2.658140 1.658302 -1.846495
H 1.181581 2.591926 -0.185836
H 0.252915 1.400221 -1.146606
H 4.465975 0.623383 -0.332357
H 3.709518 2.091024 0.282029
H 1.889266 1.954471 2.179317
H 1.381506 0.334152 2.764759
H 3.872852 0.446009 2.139047
H 2.964367 -0.772318 1.202584
H -1.055119 -0.020974 -0.988959
H -3.223567 -1.260195 -0.528197
H -2.768225 -1.326290 1.199685
H -1.773692 2.195457 0.136117
H -2.987743 1.277103 1.048963
H -1.072598 -2.499952 -1.104563
H -0.722340 -2.635644 0.635116
H -2.847953 1.432561 -2.041958
H -4.124051 0.625874 -1.110219
H -3.223890 -3.828595 -0.767855
H -1.805784 -4.758513 -0.202701
H -2.871411 -3.945926 0.980181
H -4.902096 2.905370 -1.847450
H -4.785357 2.848994 -0.064695
H -3.515789 3.668541 -1.015895
H 4.003853 -1.180389 -1.152276
H 2.973450 -2.222337 -2.123387


