%chk=000100069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100069

0 1
 O   2.0400001E-02  -3.181900       1.351500    
 O   -2.061400      -4.195900     -0.1796000    
 O   -1.511400       4.059400       1.068100    
 O    3.532400      -1.230200     -0.8969000    
 O    5.060100      0.6448000      0.4717000    
 N   -2.497400       2.207200      5.4499999E-02
 C   -1.248600       1.413100      0.1432000    
 C   -1.477600     -8.3600000E-02  9.6600004E-02
 C   -3.705400       1.575300     -0.5033000    
 C   -3.427500      0.3653000      -1.389800    
 C   -2.535500     -0.6009000     -0.6675000    
 C  -0.2678000       1.832100     -0.9595000    
 C  -0.6199000     -0.9638000      0.7688000    
 C   -2.717700      -1.983800     -0.7666000    
 C    1.149200       1.513300     -0.5802000    
 C   -2.504400       3.501900      0.5936000    
 C  -0.8155000      -2.342100      0.6789000    
 C   -1.861200      -2.851100     -8.9299999E-02
 C    1.689700      0.2778000     -0.9170000    
 C    1.906700       2.456400      0.1045000    
 C   -3.825400       4.232000      0.5717000    
 C    3.006200     -1.8800000E-02 -0.5642000    
 C    3.223100       2.160000      0.4573000    
 C    3.773000      0.9225000      0.1229000    
 C  -0.3492000      -3.533500       2.683400    
 C   -1.390100      -4.881400      -1.235000    
 C    3.379700      -2.285700      5.0299998E-02
 C    6.075500      0.9916000     -0.4680000    
 H  -0.8217000       1.654900       1.126900    
 H   -4.276700       2.314800      -1.072700    
 H   -4.320900       1.277100      0.3551000    
 H   -4.378400     -0.1079000      -1.660000    
 H   -2.934600      0.6748000      -2.319100    
 H  -0.5153000       1.364300      -1.921900    
 H  -0.3361000       2.911500      -1.150600    
 H   0.1897000     -0.5796000       1.384500    
 H   -3.530800      -2.385500      -1.366200    
 H    1.109600     -0.4514000      -1.476700    
 H    1.488000       3.422600      0.3724000    
 H   -3.738700       5.154600       1.154000    
 H   -4.613300       3.622900       1.021700    
 H   -4.088400       4.496600     -0.4557000    
 H    3.814200       2.897400      0.9937000    
 H   0.4106000      -4.211600       3.081700    
 H   -1.315900      -4.046800       2.692600    
 H  -0.3902000      -2.642300       3.317600    
 H  -0.3054000      -4.772000      -1.137000    
 H   -1.642000      -5.943300      -1.168700    
 H   -1.719700      -4.503200      -2.208000    
 H    2.346500      -2.641000      4.5299999E-02
 H    4.033100      -3.110200     -0.2479000    
 H    3.663100      -1.960800       1.056700    
 H    5.927300      0.4559000      -1.411000    
 H    7.043100      0.7015000     -4.9500000E-02
 H    6.080400       2.071600     -0.6458000    


%chk=000100069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100069

0 1
O 0.175566 -2.960360 1.458972
O -1.905180 -4.144301 -0.229646
O -1.618082 4.181659 0.971312
O 3.416333 -1.198987 -1.207257
O 4.991452 0.508849 0.578065
N -2.656556 2.323162 0.040223
C -1.361988 1.585351 0.169747
C -1.555358 0.077893 0.156242
C -3.874244 1.625058 -0.436534
C -3.512031 0.451610 -1.371901
C -2.565791 -0.497729 -0.660011
C -0.363983 2.039937 -0.969242
C -0.679451 -0.764888 0.875863
C -2.663802 -1.901657 -0.767069
C 1.066764 1.654123 -0.639862
C -2.673951 3.632865 0.512506
C -0.770868 -2.167014 0.762831
C -1.758272 -2.743769 -0.086854
C 1.635879 0.452368 -1.126147
C 1.828081 2.453675 0.253663
C -3.999026 4.390224 0.454481
C 2.923350 0.040738 -0.725817
C 3.134381 2.070617 0.625297
C 3.696966 0.871165 0.135178
C -0.405164 -3.829117 2.510017
C -0.752151 -4.823192 -0.866822
C 3.556996 -2.227189 -0.144551
C 5.992992 0.332471 -0.498710
H -0.908585 1.911405 1.123813
H -4.515919 2.344938 -0.973101
H -4.453358 1.229049 0.424226
H -4.437638 -0.067397 -1.679134
H -3.044643 0.856575 -2.292344
H -0.687840 1.594516 -1.928202
H -0.452074 3.137561 -1.044291
H 0.095896 -0.347393 1.525923
H -3.432158 -2.370032 -1.391894
H 1.070549 -0.208456 -1.792418
H 1.391344 3.378714 0.648410
H -3.854447 5.349993 0.971725
H -4.822489 3.837965 0.942005
H -4.301067 4.597317 -0.589593
H 3.741406 2.687531 1.295956
H 0.440873 -4.400898 2.920790
H -1.164096 -4.509482 2.083247
H -0.860878 -3.208460 3.304533
H 0.178178 -4.641761 -0.298926
H -1.005062 -5.894366 -0.863511
H -0.630339 -4.467750 -1.907687
H 2.571016 -2.449535 0.306470
H 3.953856 -3.119955 -0.652670
H 4.259888 -1.885144 0.637525
H 5.666002 -0.436325 -1.221351
H 6.917217 0.019725 0.011083
H 6.159006 1.293002 -1.023062


