%chk=000008430.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008430

0 1
 O   -3.484700      -1.696400     -0.9513000    
 O   -4.963100       3.710400      0.2003000    
 O   -5.678800      -2.493000      0.9371000    
 N   -4.783000      3.3700000E-02 -0.1141000    
 C    2.802400      0.1592000      0.2672000    
 C    1.566100     -0.5763000     -0.2560000    
 C    4.120500     -0.4920000     -0.1638000    
 C   0.2483000      0.1074000      0.1243000    
 C    5.357400      0.2830000      0.2962000    
 C   -1.026600     -0.5945000     -0.3528000    
 C    6.642700     -0.3673000     -0.2206000    
 C   -2.307700      0.1644000     -6.0000003E-04
 C    7.881600      0.3873000      0.2646000    
 C    9.166600     -0.2814000     -0.2232000    
 C   -3.566400     -0.5943000     -0.4025000    
 C   -4.855100       1.336700      0.5354000    
 C   -6.072900     -0.5693000     -0.4420000    
 C    10.40080      0.4467000      0.2850000    
 C   -4.856500       2.465900     -0.4787000    
 C   -6.591400      -1.430100      0.6953000    
 H    2.762300      0.2041000       1.362400    
 H    2.780800       1.195000     -9.3500003E-02
 H    1.624000     -0.6521000      -1.348700    
 H    1.564600      -1.601700      0.1332000    
 H    4.162900      -1.514700      0.2309000    
 H    4.134700     -0.5738000      -1.257900    
 H   0.2574000       1.128500     -0.2779000    
 H   0.2056000      0.2062000       1.216400    
 H    5.299100       1.316600     -6.5700002E-02
 H    5.374700      0.3239000       1.391800    
 H   -1.060400      -1.600000      8.5500002E-02
 H  -0.9758000     -0.7324000      -1.440200    
 H    6.630600     -0.3885000      -1.317100    
 H    6.689400      -1.408000      0.1227000    
 H   -2.289600       1.138600     -0.4954000    
 H   -2.322200      0.3116000       1.084600    
 H    7.881800      0.4246000       1.360900    
 H    7.846000       1.423300     -9.3699999E-02
 H    9.198500      -1.322300      0.1194000    
 H    9.183800     -0.2997000      -1.319000    
 H   -4.035000       1.478000       1.244200    
 H   -5.763000       1.383400       1.150000    
 H   -5.930200      -1.198100      -1.328600    
 H   -6.791500      0.2154000     -0.7007000    
 H    10.43040      0.4525000       1.379200    
 H    11.30800     -4.7300000E-02 -7.6700002E-02
 H    10.41600       1.483800     -6.4900003E-02
 H   -3.944100       2.477400      -1.080900    
 H   -5.708100       2.375900      -1.161200    
 H   -6.699400     -0.8510000       1.617800    
 H   -7.562400      -1.860800      0.4319000    
 H   -4.968400       4.406400     -0.4787000    
 H   -6.045700      -3.024000       1.664400    


%chk=000008430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000008430

0 1
O -3.432951 -1.762083 -1.034422
O -5.339684 3.576683 0.276585
O -6.084336 -1.965877 1.666903
N -4.775413 -0.092008 -0.119604
C 2.863765 0.204563 0.206051
C 1.599834 -0.446414 -0.399166
C 4.180812 -0.381361 -0.350736
C 0.281812 0.151151 0.142874
C 5.445827 0.253821 0.269306
C -0.973391 -0.537147 -0.436575
C 6.762568 -0.326879 -0.293978
C -2.280636 0.093946 0.081555
C 8.028268 0.300795 0.332360
C 9.344619 -0.278073 -0.235035
C -3.527973 -0.661231 -0.407374
C -4.940861 1.223530 0.519637
C -5.990020 -0.851126 -0.482848
C 10.604090 0.352077 0.398219
C -5.091277 2.359782 -0.510785
C -6.892132 -1.205442 0.708517
H 2.846126 0.081093 1.309406
H 2.840828 1.298461 0.016167
H 1.623213 -0.337549 -1.503722
H 1.616183 -1.537387 -0.195805
H 4.197202 -1.477229 -0.173538
H 4.204711 -0.245581 -1.452453
H 0.254720 1.238256 -0.084790
H 0.271750 0.065785 1.250314
H 5.426866 1.350811 0.098360
H 5.424559 0.111506 1.370291
H -0.969019 -1.613745 -0.186211
H -0.956802 -0.486140 -1.542539
H 6.786509 -0.179086 -1.394219
H 6.778433 -1.424727 -0.128679
H -2.326975 1.159175 -0.221547
H -2.280154 0.089624 1.191877
H 8.007462 0.149786 1.432227
H 8.012801 1.399196 0.170267
H 9.357901 -1.375608 -0.074525
H 9.365117 -0.125223 -1.333566
H -4.091831 1.449814 1.182728
H -5.841841 1.215487 1.157587
H -5.635166 -1.776800 -0.966161
H -6.598749 -0.284556 -1.218413
H 10.622713 0.185397 1.492002
H 11.530766 -0.077800 -0.024957
H 10.628973 1.444952 0.226426
H -4.164670 2.451295 -1.116011
H -5.939743 2.145191 -1.194715
H -7.315626 -0.292569 1.183239
H -7.739224 -1.808745 0.315189
H -5.405894 4.358179 -0.326582
H -6.659059 -2.289071 2.405167


