%chk=000017935.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017935

0 1
 O   0.8069000      0.7491000      5.2499998E-02
 O   -1.323000      0.6655000      -1.564800    
 O  -0.7372000       1.818900       1.378900    
 N    5.868000     -8.0899999E-02  0.3586000    
 C    3.177500       1.044900      6.0100000E-02
 C    4.343600       1.845800      0.6492000    
 C    3.424000     -0.4539000      0.2633000    
 C    5.686800       1.354800      0.1052000    
 C    4.797900     -0.8690000     -0.2673000    
 C    1.850000       1.471600      0.6804000    
 C    7.177200     -0.5241000     -0.1203000    
 C   -1.494700      0.1400000     -0.2327000    
 C  -0.4696000       1.013400      0.4952000    
 C   -2.936300      0.3492000      0.2373000    
 C   -1.124700      -1.344800     -0.2139000    
 C   -3.168800      0.5501000       1.578200    
 C   -1.352800      -2.094700      -1.344800    
 C   -3.943800      0.3288000     -0.6995000    
 C  -0.5775000      -1.872900      0.9328000    
 C   -1.607300       2.049900      -1.597400    
 C   -4.482500      0.7411000       2.006600    
 C   -1.015400      -3.448000      -1.327900    
 C   -5.257400      0.5198000     -0.2709000    
 C  -0.2400000      -3.226300      0.9495000    
 C   -1.415200       2.559500      -3.009900    
 C   -5.526700      0.7259000       1.082100    
 C  -0.4590000      -4.013700     -0.1808000    
 H    3.129400       1.230100      -1.022000    
 H    4.341800       1.761800       1.744000    
 H    4.223400       2.909700      0.4121000    
 H    2.654500      -1.041800     -0.2510000    
 H    3.355000     -0.7051000       1.330000    
 H    5.751400       1.574000     -0.9688000    
 H    6.483300       1.922500      0.6016000    
 H    4.941900      -1.933200     -4.3800000E-02
 H    4.818900     -0.7601000      -1.359800    
 H    1.693900       2.545500      0.5230000    
 H    1.844600       1.267000       1.758100    
 H    7.978300      2.8899999E-02  0.3827000    
 H    7.290400     -0.3882000      -1.201900    
 H    7.333700      -1.583200      0.1126000    
 H   -2.393900      0.5050000       2.334900    
 H   -1.792900      -1.677100      -2.244500    
 H   -3.764000      0.1452000      -1.754000    
 H  -0.4098000      -1.281100       1.826900    
 H  -0.9149000       2.647300     -0.9961000    
 H   -2.623100       2.313500      -1.295900    
 H   -4.694400      0.8864000       3.062000    
 H   -1.187900      -4.061900      -2.207000    
 H   -6.071300      0.5015000     -0.9896000    
 H   0.1910000      -3.667500       1.843500    
 H  -0.3938000       2.367000      -3.355100    
 H   -1.610400       3.634100      -3.071300    
 H   -2.088200       2.040300      -3.700400    
 H   -6.550100      0.8697000       1.416300    
 H  -0.1972000      -5.067600     -0.1674000    


%chk=000017935-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000017935

0 1
O 0.862069 0.777887 0.118362
O -1.688726 1.019458 -1.752289
O -0.571111 2.494136 0.731817
N 5.924987 -0.316503 0.711713
C 3.292960 0.867247 0.113770
C 4.546535 1.735694 0.387061
C 3.438794 -0.493493 0.835277
C 5.828307 0.975658 -0.006780
C 4.754799 -1.185516 0.432443
C 2.028579 1.620384 0.528872
C 7.203848 -1.002645 0.448467
C -1.500023 0.455240 -0.380480
C -0.390886 1.345350 0.254491
C -2.827634 0.468095 0.399474
C -1.010490 -0.990157 -0.591533
C -2.995995 1.034337 1.685371
C -0.517656 -1.420321 -1.845404
C -3.936779 -0.165560 -0.222370
C -1.021025 -1.896804 0.496955
C -2.315460 2.362119 -1.845680
C -4.249672 0.961749 2.338547
C -0.044129 -2.741887 -2.008032
C -5.187179 -0.228558 0.423343
C -0.538221 -3.213327 0.336854
C -2.449823 2.660093 -3.338990
C -5.348471 0.334372 1.712673
C -0.047099 -3.642461 -0.918391
H 3.230221 0.676807 -0.978546
H 4.598358 1.986266 1.465071
H 4.495769 2.686388 -0.180089
H 2.580373 -1.145962 0.592097
H 3.443675 -0.327681 1.931260
H 5.834288 0.824565 -1.121014
H 6.719048 1.581541 0.245619
H 4.876788 -2.125595 1.002502
H 4.706645 -1.461806 -0.655807
H 1.940012 2.603775 0.030471
H 1.975228 1.775891 1.623356
H 8.045763 -0.347439 0.736645
H 7.341272 -1.288527 -0.626374
H 7.264151 -1.923768 1.055638
H -2.164925 1.550344 2.173096
H -0.515149 -0.717408 -2.681837
H -3.804813 -0.607003 -1.216742
H -1.415129 -1.577706 1.468791
H -1.679147 3.111011 -1.336471
H -3.302465 2.345543 -1.344310
H -4.365440 1.404354 3.334370
H 0.329987 -3.067043 -2.985761
H -6.032557 -0.719392 -0.071850
H -0.552045 -3.904744 1.187112
H -1.460438 2.659655 -3.828898
H -2.910784 3.654256 -3.484466
H -3.083509 1.904804 -3.835447
H -6.318264 0.283526 2.220451
H 0.322192 -4.666543 -1.045611


