%chk=000023193.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023193

0 1
 O   -1.064800     -0.6769000       1.332400    
 O   -2.987500       1.789600       1.150200    
 O  -0.7925000      0.5128000      -1.408300    
 O   -2.618600      -2.901300      0.7010000    
 O    1.854400       2.149100       1.502000    
 O   -3.917400       3.054200     -0.5449000    
 O   -1.302600       2.455600      -2.549600    
 O   -3.203300      -4.128700      -1.166800    
 O    5.992400       1.053800      0.5343000    
 N    1.022100      0.1588000      0.6690000    
 N    3.382100      0.6942000      0.6567000    
 N    4.864500     -0.8423000     -0.2217000    
 C   -2.526800      0.8348000      0.1969000    
 C   -1.091700       1.148500     -0.1710000    
 C   -2.428700     -0.5268000      0.8873000    
 C  -0.3331000      0.5041000      0.9788000    
 C   -2.749800      -1.696000     -3.2900002E-02
 C    1.318000      -1.062500      6.8999998E-02
 C    2.082400       1.060800      0.9710000    
 C   -3.671700       2.854400      0.6370000    
 C  -0.9413000       1.286700      -2.525400    
 C    2.558100      -1.440200     -0.2431000    
 C    3.591700     -0.4526000      0.1010000    
 C   -2.875900      -4.055300      9.8000001E-03
 C   -4.092000       3.768600       1.747700    
 C  -0.5930000      0.4906000      -3.746400    
 C   -2.698200      -5.242400      0.9072000    
 C    5.981400     -6.0400002E-02  1.7600000E-02
 C    7.241900     -0.7311000     -0.4588000    
 H   -3.207200      0.7796000     -0.6610000    
 H  -0.8584000       2.219300     -0.2069000    
 H   -3.060100     -0.5782000       1.782200    
 H  -0.3576000       1.161500       1.856900    
 H   -2.053900      -1.727300     -0.8785000    
 H   -3.775000      -1.605800     -0.4100000    
 H   0.4871000      -1.720300     -0.1594000    
 H    2.792500      -2.384400     -0.7143000    
 H   -4.752100       3.235600       2.436500    
 H   -4.637600       4.619800       1.330200    
 H   -3.209700       4.144000       2.272100    
 H   -1.261500     -0.3700000      -3.829600    
 H  -0.7165000       1.115900      -4.635100    
 H   0.4488000      0.1651000      -3.690700    
 H    5.001300      -1.749400     -0.6614000    
 H   -3.397600      -5.181300       1.744700    
 H   -2.906700      -6.157100      0.3447000    
 H   -1.667400      -5.282300       1.268000    
 H    7.331300      -1.724900     -1.1000000E-02
 H    7.221900     -0.8214000      -1.548400    
 H    8.110200     -0.1344000     -0.1658000    


%chk=000023193-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023193

0 1
O -1.225751 -0.566850 1.189389
O -2.949278 2.148966 1.001839
O -0.693686 0.707186 -1.544304
O -3.130621 -2.687194 0.386599
O 1.770832 2.224994 1.052784
O -5.166011 1.581001 0.575838
O -1.435943 2.607778 -2.679703
O -1.061484 -3.401491 -0.435917
O 6.291155 0.734614 0.266271
N 0.995007 0.079270 0.542951
N 3.372475 0.588953 0.488767
N 4.884892 -1.117649 -0.202459
C -2.549718 1.107232 0.023096
C -1.056994 1.352805 -0.262714
C -2.595911 -0.301242 0.670951
C -0.351144 0.573176 0.873870
C -3.003037 -1.390555 -0.327137
C 1.214278 -1.176127 0.025249
C 2.080070 1.046680 0.714268
C -4.340342 2.309599 1.168555
C -0.888569 1.487855 -2.710596
C 2.505408 -1.581570 -0.261681
C 3.574334 -0.650566 0.024183
C -2.071963 -3.596943 0.278232
C -4.632950 3.455150 2.104230
C -0.325604 0.775041 -3.915474
C -2.332629 -4.808111 1.142541
C 6.139578 -0.456525 -0.081007
C 7.306827 -1.382730 -0.444761
H -3.182867 1.194365 -0.875135
H -0.797034 2.421809 -0.280774
H -3.282899 -0.316602 1.534579
H -0.246177 1.245915 1.744077
H -2.267261 -1.487370 -1.144170
H -4.013101 -1.181901 -0.717011
H 0.342065 -1.818221 -0.123315
H 2.684588 -2.579806 -0.667321
H -3.945187 3.442730 2.965075
H -5.677378 3.401859 2.443718
H -4.478251 4.411616 1.572596
H -0.425687 -0.316869 -3.814242
H -0.828248 1.130241 -4.827394
H 0.752015 1.007446 -3.999763
H 4.938171 -2.090414 -0.514768
H -3.395873 -5.093490 1.108636
H -1.697087 -5.643462 0.814412
H -2.085026 -4.564168 2.191797
H 7.293545 -2.311677 0.155348
H 7.272212 -1.661866 -1.514738
H 8.248158 -0.848782 -0.252267


