%chk=000173648.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173648

0 1
 O   -1.431500      -3.073100     -0.6721000    
 O   0.5464000       3.024100      0.2267000    
 O    3.431500      -1.658700     -0.1189000    
 N   -3.003100     -0.6440000     -0.4387000    
 C   -1.596600     -0.7280000     -3.9099999E-02
 C  -0.8381000      -1.789000     -0.8483000    
 C  -0.9468000      0.6488000     -0.2325000    
 C   0.6126000      -1.889000     -0.3674000    
 C   0.5524000      0.6329000     -6.7800000E-02
 C    1.289800     -0.5586000     -0.1749000    
 C   -3.704900      0.3446000      0.3631000    
 C    1.228600       1.846000      0.1341000    
 C    2.686300     -0.5182000     -4.2300001E-02
 C    2.617400       1.874200      0.2548000    
 C    3.346000      0.6919000      0.1689000    
 C   -3.625500     -2.1100000E-02   1.842500    
 C   -5.154900      0.4381000     -0.1012000    
 C   0.3210000       3.736600     -0.9868000    
 C    3.669400      -2.357600       1.100000    
 H   -1.515000      -1.046100       1.007400    
 H  -0.8572000      -1.546300      -1.918800    
 H   -1.331100       1.355300      0.5102000    
 H   -1.172200       1.034800      -1.235000    
 H    1.168000      -2.501900      -1.089000    
 H   0.6369000      -2.433900      0.5854000    
 H   -3.445200      -1.555600     -0.3266000    
 H   -3.312200       1.354900      0.2137000    
 H   -2.305600      -3.052000      -1.096500    
 H    3.137000       2.814600      0.4176000    
 H    4.427900      0.7196000      0.2665000    
 H   -4.337600      0.5816000       2.418900    
 H   -3.882100      -1.072100       2.019600    
 H   -2.641900      0.1795000       2.278200    
 H   -5.211900      0.7098000      -1.161400    
 H   -5.696800       1.203100      0.4657000    
 H   -5.682600     -0.5131000      3.3000000E-02
 H  -0.1680000       3.106900      -1.735800    
 H    1.268400       4.116100      -1.382300    
 H  -0.3303000       4.587200     -0.7681000    
 H    2.736700      -2.565000       1.632700    
 H    4.340900      -1.777300       1.740800    
 H    4.152900      -3.308600      0.8604000    


%chk=000173648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173648

0 1
O -1.478825 -3.049015 -0.780684
O 0.597147 3.072061 0.306197
O 3.470451 -1.754068 -0.226053
N -3.006920 -0.704328 -0.264054
C -1.561386 -0.694312 0.064674
C -0.841232 -1.716592 -0.845613
C -0.923060 0.687176 -0.185079
C 0.611203 -1.903398 -0.397902
C 0.596256 0.646942 -0.073916
C 1.319614 -0.575875 -0.166450
C -3.888731 0.309526 0.382123
C 1.316928 1.852868 0.141150
C 2.735995 -0.545841 -0.057982
C 2.722118 1.868900 0.254639
C 3.438821 0.658873 0.148539
C -3.872806 0.270614 1.935366
C -5.319046 0.114685 -0.161410
C 0.453474 3.858996 -0.930837
C 3.790686 -2.449755 1.032646
H -1.359221 -0.990137 1.124576
H -0.888569 -1.329505 -1.886526
H -1.307228 1.446309 0.519129
H -1.228471 1.022562 -1.199314
H 1.170039 -2.505029 -1.135261
H 0.595408 -2.501878 0.536027
H -3.380900 -1.650041 -0.084221
H -3.534714 1.306733 0.056513
H -2.217481 -3.071916 -1.439136
H 3.233646 2.819875 0.435559
H 4.531731 0.636496 0.210473
H -4.512238 1.070223 2.354000
H -4.254522 -0.700947 2.304818
H -2.852519 0.412417 2.336288
H -5.323547 0.178373 -1.263387
H -6.004119 0.881543 0.242706
H -5.717349 -0.877945 0.129074
H -0.118259 3.299814 -1.698155
H 1.444183 4.131977 -1.344824
H -0.095933 4.769994 -0.646957
H 2.870378 -2.755097 1.568921
H 4.401886 -1.806868 1.696540
H 4.366114 -3.343007 0.744505


