%chk=000019779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019779

0 1
 O    2.240200     -6.6000000E-03   1.459200    
 O   -3.002700      -1.174600     -0.4866000    
 O  -0.1753000      -2.208100     -0.2946000    
 O    3.309500      -2.083000       1.299100    
 O   -3.905800      -3.071700      0.4737000    
 N  -0.6363000     -0.2361000      0.8346000    
 C    4.527200       1.234200      0.3227000    
 C    3.402300      0.7013000     -0.5021000    
 C    2.297600      9.8800004E-02  9.9799998E-02
 C    1.256200     -0.3928000     -0.6873000    
 C    1.319500     -0.2822000      -2.076300    
 C   -3.078500     -0.4950000      0.7667000    
 C    3.465600      0.8121000      -1.891100    
 C   -1.789600     -0.7223000       1.557200    
 C    5.858400      0.5164000      3.3700000E-02
 C    4.705900       2.754800      0.1594000    
 C    2.424300      0.3202000      -2.678400    
 C   0.1024000      -1.022300     -5.3900000E-02
 C   -3.320600      0.9728000      0.5010000    
 C   0.2199000     -0.7998000      -2.945500    
 C   -4.051700       1.735100       1.411900    
 C   -2.813200       1.565200     -0.6555000    
 C   -4.275500       3.089900       1.166500    
 C   -3.036700       2.920000     -0.9009000    
 C    2.801800      -1.189400       1.963700    
 C   -3.767900       3.682400      1.0100000E-02
 C   -3.453000      -2.463100     -0.4864000    
 C    2.690100      -1.210100       3.459300    
 C   -3.314100      -3.046100      -1.860000    
 H    4.327700       1.078000       1.389000    
 H   -3.932400     -0.8709000       1.345900    
 H    4.315400       1.276900      -2.383100    
 H   -1.646800      -1.790200       1.754400    
 H   -1.816500     -0.1957000       2.517100    
 H    6.639300      0.8661000      0.7178000    
 H    5.754500     -0.5660000      0.1685000    
 H    6.208600      0.6953000     -0.9885000    
 H    3.772300       3.282400      0.3846000    
 H    5.475400       3.126700      0.8448000    
 H    5.008300       3.026500     -0.8576000    
 H    2.490200      0.4131000      -3.759200    
 H  -0.3541000      0.7278000      0.9890000    
 H  -0.7587000     -0.4620000      -2.591800    
 H   0.3199000     -0.4419000      -3.976300    
 H   0.2386000      -1.894000      -2.972500    
 H   -4.450500       1.286200       2.317700    
 H   -2.235800      0.9999000      -1.380300    
 H   -4.844100       3.683800       1.876100    
 H   -2.640200       3.381800      -1.800400    
 H   -3.941400       4.737400     -0.1806000    
 H    3.233400     -0.3611000       3.881300    
 H    3.131400      -2.134000       3.843500    
 H    1.637300      -1.177600       3.750300    
 H   -3.909300      -2.466400      -2.570000    
 H   -3.682600      -4.075900      -1.855700    
 H   -2.262500      -3.053900      -2.156200    


%chk=000019779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019779

0 1
O 1.963219 0.203347 1.307005
O -3.205727 -1.023269 -0.687626
O -0.352740 -2.455787 -0.663435
O 3.546186 -1.425702 1.902486
O -4.037201 -3.074512 0.054633
N -0.616205 -0.600552 0.710716
C 4.423335 1.395562 0.213689
C 3.392298 0.656932 -0.643241
C 2.232218 0.053804 -0.105059
C 1.266798 -0.642659 -0.885149
C 1.472680 -0.742216 -2.296316
C -3.148087 -0.564960 0.728628
C 3.567927 0.537076 -2.043155
C -1.827881 -1.106484 1.357546
C 5.762741 0.609985 0.257902
C 4.643985 2.848911 -0.283034
C 2.630447 -0.138750 -2.845766
C 0.051492 -1.314136 -0.271532
C -3.251891 0.947989 0.744217
C 0.501255 -1.454768 -3.220251
C -3.840908 1.588543 1.863198
C -2.722554 1.739165 -0.305927
C -3.894069 2.998521 1.938650
C -2.781441 3.149188 -0.233445
C 2.659956 -0.622281 2.236922
C -3.362348 3.783653 0.889354
C -3.604935 -2.360856 -0.877488
C 2.135692 -0.359032 3.629073
C -3.400311 -2.775542 -2.312015
H 4.034681 1.459280 1.246875
H -3.987975 -1.030181 1.280100
H 4.452711 0.983934 -2.510193
H -1.829319 -2.206946 1.277008
H -1.817110 -0.827844 2.427828
H 6.491213 1.126957 0.909966
H 5.603750 -0.410607 0.646067
H 6.207484 0.531365 -0.751708
H 3.696435 3.416968 -0.303550
H 5.350416 3.375592 0.384826
H 5.073751 2.866544 -1.301703
H 2.793978 -0.205184 -3.927274
H -0.228188 0.296387 1.007975
H -0.542090 -1.136948 -3.044095
H 0.757255 -1.252200 -4.274440
H 0.524283 -2.544037 -3.046132
H -4.270582 0.984381 2.672560
H -2.290735 1.244164 -1.180743
H -4.357683 3.481625 2.805994
H -2.376500 3.752547 -1.053734
H -3.408313 4.877159 0.942313
H 2.090116 0.724366 3.829525
H 2.778394 -0.857087 4.368878
H 1.108563 -0.757677 3.715786
H -3.593123 -1.938335 -3.001440
H -4.045376 -3.633671 -2.552244
H -2.342567 -3.079424 -2.421225


