%chk=000156305.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156305

0 1
 O   -3.743400      0.8338000      0.1201000    
 N   0.7239000      0.4434000     -0.2602000    
 C  -0.6154000       1.009500      5.0099999E-02
 C   -1.550500     -0.1902000      0.4791000    
 C  -0.4825000       1.965400       1.272200    
 C   -1.139700       1.755200      -1.208400    
 C   -2.892200      0.2589000       1.106700    
 C    1.709500       1.419600     -0.7441000    
 C   -1.822100       2.429500       1.840300    
 C   -2.688300       1.247200       2.251900    
 C  -0.1510000       2.781700      -1.762900    
 C   -1.827600      -1.224800     -0.6267000    
 C    1.209200       2.139700      -1.999500    
 C    3.019300      0.6865000      -1.038800    
 C   -2.572900      -2.426500     -6.6399999E-02
 C    3.556100     -7.3000002E-03  0.2095000    
 C   -2.871100      -3.438000      -1.172800    
 C    4.846700     -0.7689000     -9.9699996E-02
 C   -3.646100      -4.633100     -0.6410000    
 C    5.363500      -1.481100       1.115300    
 C    5.574600      -2.800600       1.175300    
 H   -1.011000     -0.7218000       1.279700    
 H   0.1029000       2.858200       1.029300    
 H   6.9200002E-02   1.453400       2.073600    
 H   -1.345000       1.038700      -2.012600    
 H   -2.083600       2.268900      -1.006100    
 H   -3.428900     -0.5859000       1.544900    
 H   0.6275000     -0.2818000     -0.9692000    
 H    1.916100       2.160400      3.7000000E-02
 H   -2.351900       3.052100       1.111100    
 H   -1.641600       3.064500       2.715800    
 H   -2.214500      0.7322000       3.096700    
 H   -3.655600       1.626000       2.602700    
 H  -5.2200001E-02   3.627900      -1.074100    
 H  -0.5344000       3.190300      -2.705100    
 H  -0.8939000      -1.580200      -1.073400    
 H   -2.417800     -0.7817000      -1.436400    
 H    1.131100       1.431800      -2.835500    
 H    1.927600       2.909800      -2.304400    
 H    3.765400       1.403000      -1.405300    
 H    2.872000     -5.1700000E-02  -1.838200    
 H   -1.984800      -2.903200      0.7267000    
 H   -3.539700      -2.146900      0.3585000    
 H   -4.575700       1.083600      0.5564000    
 H    3.741800      0.7366000      0.9947000    
 H    2.821200     -0.7170000      0.6082000    
 H   -3.453300      -2.961400      -1.970300    
 H   -1.933600      -3.788300      -1.620300    
 H    4.671300      -1.478400     -0.9178000    
 H    5.615600     -6.7199998E-02 -0.4445000    
 H   -4.608000      -4.322700     -0.2205000    
 H   -3.080600      -5.151300      0.1400000    
 H   -3.842900      -5.346200      -1.447600    
 H    5.592600     -0.8772000       1.989600    
 H    5.958100      -3.254500       2.082600    
 H    5.370300      -3.447300      0.3293000    


%chk=000156305-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156305

0 1
O -3.863046 1.032209 0.184213
N 0.617321 0.445448 -0.206898
C -0.718293 1.093074 0.070337
C -1.689412 -0.075096 0.489856
C -0.514919 2.037785 1.296217
C -1.220966 1.872636 -1.187424
C -2.981854 0.400508 1.201829
C 1.668923 1.339954 -0.776318
C -1.831223 2.556951 1.909956
C -2.706313 1.372972 2.364794
C -0.152361 2.838257 -1.756421
C -2.043911 -1.067844 -0.655064
C 1.178935 2.102866 -2.038075
C 2.940023 0.508801 -1.063500
C -2.533573 -2.447373 -0.154547
C 3.592110 -0.092417 0.200500
C -2.796721 -3.445721 -1.305136
C 4.806750 -1.000104 -0.130468
C -3.305975 -4.815424 -0.806224
C 5.504887 -1.521355 1.107698
C 5.708151 -2.828780 1.409720
H -1.118676 -0.640206 1.260346
H 0.123665 2.895959 1.017174
H 0.047337 1.459559 2.057157
H -1.478935 1.136608 -1.974268
H -2.157083 2.409070 -0.954458
H -3.502345 -0.495970 1.604441
H 0.489079 -0.356488 -0.846159
H 1.920988 2.090393 0.001451
H -2.386972 3.166575 1.171793
H -1.606801 3.216650 2.770194
H -2.183312 0.817302 3.170099
H -3.666855 1.727283 2.793463
H 0.030062 3.671968 -1.048240
H -0.535075 3.301485 -2.686726
H -1.160120 -1.240455 -1.304192
H -2.822490 -0.614738 -1.296382
H 1.033438 1.373539 -2.864043
H 1.955979 2.820448 -2.371160
H 3.672512 1.154065 -1.590904
H 2.681270 -0.308428 -1.772871
H -1.780493 -2.879359 0.538161
H -3.467785 -2.329752 0.431078
H -4.705594 1.299058 0.631827
H 3.920626 0.731558 0.867918
H 2.831818 -0.665192 0.762077
H -3.535818 -3.006072 -2.005524
H -1.862516 -3.585645 -1.886889
H 4.477124 -1.849279 -0.761040
H 5.528969 -0.412800 -0.738753
H -4.252819 -4.703735 -0.244343
H -2.569804 -5.289305 -0.129491
H -3.491024 -5.511289 -1.645208
H 5.861959 -0.751030 1.811123
H 6.219032 -3.135788 2.329606
H 5.365825 -3.630737 0.743201


