%chk=000065747.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065747

0 1
 O   -5.153300       2.129200     -0.7925000    
 O   -6.466100     -0.5207000     -0.6040000    
 O   -1.687400       1.643400       1.830500    
 O   -3.333100      0.1222000       2.247300    
 O    6.908100       1.617300     -0.2566000    
 N  -0.4799000      -1.956800     -0.1421000    
 N    2.096500      0.7642000     -4.6000000E-02
 C   -2.350700      0.1788000     -0.9148000    
 C   -2.771400      -1.307100     -0.8298000    
 C  -0.8212000      0.3611000     -0.8839000    
 C  -9.8999999E-02 -0.5430000      0.1225000    
 C   -3.122800       1.106900      4.7499999E-02
 C   -1.907900      -2.151200      0.1248000    
 C   -4.261500      -1.486100     -0.4909000    
 C   -4.652000      0.9723000     -0.1138000    
 C   -5.090900     -0.2734000     -0.8941000    
 C    1.392200     -0.4036000      3.4699999E-02
 C   0.3419000      -2.906800      0.6403000    
 C    2.291600      -1.446900      9.4800003E-02
 C    1.826500      -2.855600      0.2104000    
 C   -2.754600      0.8824000       1.485100    
 C    3.598900     -0.8969000      1.4100000E-02
 C    3.448300      0.4915000     -7.3799998E-02
 C   -4.871500       3.311500     -6.3299999E-02
 C    4.899800      -1.438700      1.0400000E-02
 C    4.539600       1.363100     -0.1648000    
 C    5.999000     -0.5775000     -8.1900001E-02
 C    5.819500      0.8014000     -0.1679000    
 C    6.661100       3.018900     -0.3420000    
 H   -2.650600      0.5227000      -1.918000    
 H   -2.619200      -1.720800      -1.838600    
 H  -0.5742000       1.415800     -0.7101000    
 H  -0.4382000      0.1368000      -1.891000    
 H  -0.3725000     -0.2875000       1.151000    
 H   -2.790100       2.120100     -0.1945000    
 H   -2.137100      -1.928300       1.173300    
 H   -2.169800      -3.205500     -3.4499999E-02
 H   -4.647700      -2.384400     -0.9897000    
 H   -4.406700      -1.679300      0.5798000    
 H   -5.160500      0.9514000      0.8600000    
 H   -5.021500     -0.1067000      -1.975700    
 H  -1.3900000E-02  -3.933300      0.4887000    
 H   0.2553000      -2.688500       1.713400    
 H    1.943500      -3.347600     -0.7630000    
 H    2.436700      -3.404000      0.9367000    
 H    1.694800       1.690900     -8.2199998E-02
 H   -6.965000      0.2740000     -0.8597000    
 H   -4.853600       3.158200       1.020900    
 H   -5.671800       4.026500     -0.2797000    
 H   -3.943500       3.775000     -0.4090000    
 H    5.055600      -2.511700      7.7900000E-02
 H   -1.430400       1.510200       2.767700    
 H    4.336400       2.424800     -0.2279000    
 H    7.002000     -0.9973000     -8.5199997E-02
 H    6.170100       3.398000      0.5609000    
 H    6.112300       3.277300      -1.254000    
 H    7.635200       3.515000     -0.4061000    


%chk=000065747-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065747

0 1
O -5.359903 2.096905 -0.663473
O -6.497041 -0.530388 -0.830887
O -1.604033 2.127544 1.570055
O -3.042257 0.474797 2.329402
O 7.092475 1.511965 -0.217210
N -0.478152 -1.971016 -0.081157
N 2.127997 0.772373 -0.052380
C -2.338070 0.152517 -1.010820
C -2.761994 -1.346143 -0.875916
C -0.793972 0.307107 -0.993401
C -0.088661 -0.543197 0.095679
C -3.104123 1.155596 -0.060808
C -1.929579 -2.122973 0.170859
C -4.283576 -1.505814 -0.593851
C -4.653777 0.923307 -0.114357
C -5.066759 -0.256632 -1.008494
C 1.412159 -0.438387 0.034809
C 0.358296 -2.911035 0.712094
C 2.306314 -1.501288 0.079871
C 1.818938 -2.923038 0.201122
C -2.619215 1.167549 1.376030
C 3.642470 -0.941354 0.008423
C 3.499598 0.489199 -0.071728
C -5.486771 3.198551 0.295087
C 4.953102 -1.490371 0.010936
C 4.603205 1.370530 -0.149202
C 6.062042 -0.633788 -0.065102
C 5.887704 0.781768 -0.145172
C 6.990987 2.966057 -0.308021
H -2.668304 0.480916 -2.017197
H -2.523476 -1.802928 -1.857182
H -0.531622 1.376183 -0.867416
H -0.392615 -0.026118 -1.968638
H -0.427669 -0.185630 1.106164
H -2.895614 2.161466 -0.470885
H -2.210537 -1.787484 1.201195
H -2.186288 -3.196454 0.096515
H -4.693999 -2.381617 -1.125902
H -4.459006 -1.672516 0.487372
H -5.040458 0.708674 0.905346
H -4.871430 0.008812 -2.069934
H -0.085911 -3.918700 0.613992
H 0.351966 -2.645425 1.800277
H 1.861504 -3.440835 -0.777571
H 2.447382 -3.503969 0.904861
H 1.710928 1.698886 -0.104595
H -6.971064 0.327552 -0.991934
H -6.012253 2.868266 1.214828
H -6.076188 3.979766 -0.209811
H -4.497704 3.615392 0.576808
H 5.104221 -2.573895 0.069471
H -1.316015 2.098981 2.523918
H 4.462121 2.453821 -0.209363
H 7.085129 -1.021459 -0.066458
H 6.490142 3.394503 0.583467
H 6.445592 3.277875 -1.221443
H 8.029062 3.327297 -0.356673


