%chk=000035779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035779

0 1
 O    2.358000      -1.231800     -0.1198000    
 O   -4.476500     -3.5100002E-02  0.9079000    
 O    1.793300      0.7253000      -1.159700    
 N    5.865200     -0.1043000      7.4900001E-02
 N   0.2154000     -0.5489000      1.8200001E-02
 C    4.479100     -0.2817000      0.4813000    
 C    6.604600      0.6667000       1.077300    
 C    6.511400      -1.400900     -0.1429000    
 C    3.708300      -1.066600     -0.5682000    
 C    5.960900       2.015100       1.325900    
 C    7.935200      -1.235800     -0.6330000    
 C   -6.714700     -0.7981000      0.5315000    
 C   -8.048400     -0.5110000     -0.1522000    
 C   -5.695500      0.2989000      0.2584000    
 C   -3.321900      0.4286000      0.3325000    
 C   -9.049600      -1.629700      8.7399997E-02
 C  -0.9700000      0.1747000     -0.1147000    
 C    1.477900     -0.2493000     -0.4879000    
 C   -2.144600     -0.2972000      0.4710000    
 C   -3.340900       1.620000     -0.3835000    
 C  -0.9810000       1.369300     -0.8350000    
 C   -2.166400       2.091800     -0.9694000    
 H    3.965200      0.6790000      0.5902000    
 H    4.397500     -0.7858000       1.453900    
 H    6.694800      0.1220000       2.025700    
 H    7.617800      0.8832000      0.7233000    
 H    6.017700      -1.959700     -0.9422000    
 H    6.495500      -2.024900      0.7594000    
 H    3.751300     -0.5994000      -1.559700    
 H    4.069200      -2.091900     -0.6759000    
 H    5.729500       2.535700      0.3902000    
 H    5.049700       1.940900       1.927700    
 H    6.651800       2.653000       1.889100    
 H    8.000900     -0.5201000      -1.459800    
 H    8.618600     -0.9229000      0.1623000    
 H    8.311100      -2.196200      -1.004100    
 H   -6.312000      -1.759500      0.1884000    
 H   -6.857200     -0.9025000       1.614400    
 H   -8.463500      0.4318000      0.2226000    
 H   -7.897200     -0.3926000      -1.231500    
 H   -5.567800      0.3732000     -0.8296000    
 H   -6.060500       1.255900      0.6488000    
 H   -8.678000      -2.580400     -0.3080000    
 H   -9.248000      -1.756000       1.156500    
 H   -9.997900      -1.402600     -0.4096000    
 H   -2.146500      -1.227400       1.033900    
 H   0.1512000      -1.410100      0.5559000    
 H   -4.235100       2.226800     -0.4876000    
 H  -0.1116000       1.797600      -1.314200    
 H   -2.174200       3.025500      -1.524500    


%chk=000035779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035779

0 1
O 2.429294 -1.061814 -0.730712
O -4.489846 -0.577487 -0.094573
O 1.955790 1.250147 -0.673561
N 5.970977 -0.319338 0.397945
N 0.275962 -0.425094 -0.544272
C 4.499256 -0.437099 0.532782
C 6.543874 0.879806 1.062670
C 6.687964 -1.586850 0.693836
C 3.881396 -0.745397 -0.844064
C 6.200560 2.186510 0.321941
C 8.047654 -1.700209 -0.022462
C -6.841597 -1.067029 0.171691
C -8.284125 -0.526291 0.308467
C -5.814963 0.058660 0.030915
C -3.368783 0.259598 -0.209464
C -9.322263 -1.657842 0.467077
C -0.929269 0.322104 -0.436936
C 1.571222 0.053707 -0.647700
C -2.131558 -0.414073 -0.318313
C -3.417686 1.676302 -0.219452
C -0.958245 1.743992 -0.446651
C -2.204162 2.391782 -0.337747
H 4.075428 0.512420 0.903261
H 4.205585 -1.231940 1.255606
H 6.213134 0.952165 2.129811
H 7.642544 0.762003 1.082083
H 6.043570 -2.419841 0.353656
H 6.829116 -1.729318 1.795826
H 4.019503 0.113237 -1.522594
H 4.318029 -1.654547 -1.287280
H 6.599653 2.155186 -0.706951
H 5.109070 2.347721 0.257546
H 6.639111 3.055689 0.847131
H 7.911063 -1.604521 -1.113843
H 8.753805 -0.914792 0.301953
H 8.516089 -2.678750 0.193460
H -6.770052 -1.731326 -0.710909
H -6.583088 -1.679596 1.056712
H -8.343556 0.153665 1.182905
H -8.536755 0.085307 -0.581677
H -6.019192 0.673806 -0.870656
H -5.826770 0.721147 0.922016
H -9.305001 -2.337017 -0.405821
H -9.111605 -2.264048 1.367876
H -10.346789 -1.254430 0.561987
H -2.133500 -1.509908 -0.306988
H 0.197859 -1.444430 -0.547679
H -4.364859 2.215914 -0.139272
H -0.028628 2.307515 -0.537930
H -2.233117 3.487205 -0.346046


