%chk=000099571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099571

0 1
 O   -1.447500      -3.419300      0.7331000    
 O   0.4581000      -2.254100      -2.261800    
 O   0.3851000      -2.302700       1.482300    
 O   0.3661000     -0.2201000      -3.272100    
 O   -1.431500       3.284000      -1.301200    
 O    1.485900       1.331600       3.244800    
 O   0.5034000       2.315900     -0.9301000    
 O  -0.4612000      0.9546000       2.303800    
 O   -5.534600     -0.9865000      0.4737000    
 O    5.534400     -0.4267000      -1.084300    
 O   -5.541600       1.048200     -0.3504000    
 O    5.567300      0.3964000      0.9506000    
 N  -0.7489000       2.307900     -0.9137000    
 N   0.7910000      0.9417000       2.278500    
 N   -4.930100      3.0099999E-02  5.4900002E-02
 N    4.942900     -1.1100000E-02 -5.8699999E-02
 C  -0.7207000      2.6100000E-02  1.0300000E-02
 C   0.7337000      1.8700000E-02 -3.1999999E-03
 C   -1.414300      -1.092900      0.4712000    
 C    1.413100     -0.4392000      -1.132000    
 C   -1.421700       1.146500     -0.4360000    
 C    1.448900      0.4665000       1.107600    
 C   -2.809000      -1.091500      0.4859000    
 C    2.807700     -0.4491000      -1.150400    
 C   -2.816600       1.147800     -0.4214000    
 C    2.843700      0.4566000       1.089200    
 C   -3.510200      2.8800000E-02  3.9600000E-02
 C    3.523000     -1.3000000E-03 -3.9799999E-02
 C  -0.7245000      -2.287900      0.9457000    
 C   0.7081000     -0.9189000      -2.316100    
 H   -3.348200      -1.957900      0.8615000    
 H    3.315900     -0.8106000      -2.041900    
 H   -3.369100       2.018100     -0.7678000    
 H    3.407200      0.8044000       1.951800    
 H  -0.9782000      -4.218500       1.054700    
 H  -1.7700000E-02  -2.569400      -3.059600    


%chk=000099571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099571

0 1
O -1.645625 -3.275976 1.496265
O 1.496081 -1.446924 -3.323123
O 0.468879 -2.374279 1.206707
O -0.587497 -0.913678 -2.461263
O -1.609337 3.260028 -1.515114
O 1.663120 1.283491 3.333230
O 0.405554 2.429058 -0.858893
O -0.372505 1.201209 2.318360
O -5.687490 -1.077912 0.461829
O 5.601607 -0.711072 -1.121459
O -5.714110 1.007725 -0.469765
O 5.692233 0.178736 0.980529
N -0.881628 2.349498 -0.974598
N 0.908580 1.013160 2.329026
N -5.104717 -0.023743 0.003689
N 5.051956 -0.228086 -0.060624
C -0.778515 0.047893 0.055337
C 0.733246 0.033384 0.008900
C -1.506111 -1.083117 0.546676
C 1.425138 -0.489266 -1.130467
C -1.549014 1.134409 -0.447366
C 1.536365 0.456227 1.105934
C -2.917057 -1.100935 0.531663
C 2.833938 -0.568752 -1.151091
C -2.951309 1.133572 -0.473422
C 2.936910 0.381614 1.105047
C -3.617454 0.002844 0.021697
C 3.567412 -0.135964 -0.036030
C -0.776607 -2.264211 1.095967
C 0.659884 -0.951670 -2.325940
H -3.460759 -1.968462 0.911994
H 3.350017 -0.966895 -2.027460
H -3.502849 1.989961 -0.870103
H 3.514113 0.716153 1.971003
H -1.126446 -4.038682 1.867984
H 0.953899 -1.733139 -4.106420


