%chk=000017659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017659

0 1
 O   0.5708000      -1.402900     -7.9099998E-02
 O   -1.281200     -0.7328000       1.725500    
 O   -1.308500      -2.210500      -1.130100    
 N    4.748300     -0.7259000     -0.2746000    
 C   -1.498000     -0.2869000      0.3712000    
 C    3.353100     -0.8470000     -0.6796000    
 C    2.810200      -2.222100     -0.3042000    
 C    1.358900      -2.386500     -0.7350000    
 C   -2.997300     -0.2102000      7.2700001E-02
 C  -0.8301000       1.074500      0.1648000    
 C    5.425500      0.3079000      -1.059500    
 C    4.846000     -0.4233000       1.154500    
 C  -0.7738000      -1.417600     -0.3641000    
 C    4.804400       1.673600     -0.8206000    
 C    6.295700     -0.3598000       1.604400    
 C   -3.464700     -0.4562000      -1.218400    
 C  -0.7415000       1.975900       1.225800    
 C   -3.896300      0.1052000       1.091600    
 C  -0.3096000       1.414100      -1.084000    
 C   -4.831000     -0.3866000      -1.490700    
 C  -0.1326000       3.216700       1.037900    
 C   -5.262600      0.1747000      0.8192000    
 C   0.2994000       2.654900      -1.271800    
 C   -1.843200      -2.014200       1.926800    
 C   -5.729900     -7.1199998E-02 -0.4720000    
 C   0.3878000       3.556100     -0.2108000    
 H    3.261800     -0.7536000      -1.770200    
 H    2.728200     -5.9799999E-02 -0.2401000    
 H    3.415000      -3.008700     -0.7712000    
 H    2.856100      -2.370600      0.7801000    
 H    1.006000      -3.385300     -0.4537000    
 H    1.270200      -2.269300      -1.821400    
 H    6.502900      0.3331000     -0.8653000    
 H    5.349100      6.0699999E-02  -2.126500    
 H    4.308200      0.4818000       1.458600    
 H    4.392100      -1.239600       1.727800    
 H    3.736000       1.716300      -1.050100    
 H    4.967400       2.053600      0.1917000    
 H    5.285400       2.396000      -1.491500    
 H    6.868700      -1.223200       1.248900    
 H    6.797700      0.5564000       1.279500    
 H    6.340000     -0.3697000       2.699300    
 H   -2.795300     -0.6475000      -2.051000    
 H   -1.146600       1.738100       2.205500    
 H   -3.558800      0.3192000       2.101800    
 H  -0.3754000      0.7337000      -1.928400    
 H   -5.194000     -0.5645000      -2.498700    
 H  -6.5099999E-02   3.919400       1.863300    
 H   -5.962400      0.4251000       1.611100    
 H   0.7034000       2.920000      -2.244400    
 H   -2.715700      -2.284400       1.325600    
 H   -1.071800      -2.781400       1.794700    
 H   -2.147300      -2.072800       2.977600    
 H   -6.793300     -1.2900000E-02 -0.6849000    
 H   0.8616000       4.522400     -0.3573000    


%chk=000017659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017659

0 1
O 0.594653 -1.570307 0.274849
O -2.057729 -1.185121 2.042391
O -1.211301 -2.863047 -0.390274
N 4.633978 -0.369854 -0.539653
C -1.621446 -0.656022 0.711607
C 3.284697 -0.922434 -0.831043
C 2.944698 -2.132457 0.069282
C 1.528916 -2.660580 -0.158657
C -2.840525 -0.282168 -0.149928
C -0.770221 0.588618 1.026625
C 5.300017 0.218225 -1.731491
C 4.634480 0.501283 0.666243
C -0.756758 -1.800710 0.105704
C 4.665839 1.511984 -2.315751
C 6.048046 0.859212 1.160579
C -3.081284 -0.780722 -1.452283
C -0.255919 0.810655 2.325192
C -3.761245 0.642634 0.412444
C -0.460024 1.505303 -0.007974
C -4.217643 -0.355674 -2.181204
C 0.554886 1.938271 2.586118
C -4.898489 1.056786 -0.308931
C 0.358478 2.625818 0.250623
C -3.043236 -2.281443 2.021775
C -5.130187 0.560255 -1.614624
C 0.871086 2.846931 1.550348
H 3.271911 -1.257006 -1.887528
H 2.481606 -0.155756 -0.722572
H 3.666857 -2.946468 -0.133149
H 3.054765 -1.862073 1.135413
H 1.307898 -3.561056 0.442195
H 1.321377 -2.889514 -1.220998
H 6.357268 0.415721 -1.474752
H 5.315242 -0.563460 -2.515680
H 4.042458 1.437656 0.504769
H 4.111803 -0.049231 1.470099
H 3.610952 1.348729 -2.603011
H 4.696230 2.344747 -1.589716
H 5.219147 1.831752 -3.218622
H 6.648414 -0.057773 1.298803
H 6.583665 1.520227 0.455376
H 5.987496 1.388377 2.129404
H -2.402022 -1.513124 -1.896192
H -0.501395 0.101333 3.119156
H -3.573506 1.031263 1.419721
H -0.865561 1.349809 -1.014419
H -4.390439 -0.749013 -3.189313
H 0.942728 2.104405 3.597825
H -5.599572 1.768910 0.140701
H 0.590456 3.328359 -0.558078
H -3.984655 -1.965745 1.535313
H -2.647475 -3.174970 1.505760
H -3.226187 -2.503900 3.084993
H -6.010877 0.884541 -2.180445
H 1.501549 3.720217 1.753678


