%chk=000060855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060855

0 1
 O    1.167900       1.144500      0.1971000    
 O    1.896700      -1.172500       1.586900    
 O    3.472500     -0.3744000      -1.618900    
 O    5.798300     -0.8665000     -0.2269000    
 O   -2.148300      -2.731400       1.290500    
 O    1.785900       3.585300      0.5484000    
 O  -0.3301000       4.374600      0.1887000    
 N  -0.7741000      -1.994700     -0.4381000    
 N   -2.789900      9.7300000E-02  0.3904000    
 N   -5.100300      0.1829000      0.4722000    
 N   -4.111700      0.8273000      -1.477800    
 C   0.9015000     -0.1670000     -0.3347000    
 C  -0.4931000     -0.6742000      8.1200004E-02
 C    2.030700      -1.062500      0.1726000    
 C   -1.569200      0.3167000     -0.3968000    
 C    3.421500     -0.5319000     -0.1963000    
 C   -1.126400       1.736900     -0.2285000    
 C   0.1439000       2.048800      6.3100003E-02
 C    4.571800      -1.456300      0.1961000    
 C   -1.580700      -2.910500      0.2162000    
 C   0.4718000       3.460700      0.2661000    
 C   -3.912500      0.3621000     -0.1970000    
 C   -1.726100      -4.195300     -0.5545000    
 H   0.9468000     -0.1059000      -1.430700    
 H  -0.5448000     -0.7232000       1.178200    
 H    1.909800      -2.067000     -0.2493000    
 H   -1.728100      0.1276000      -1.465700    
 H    3.611700      0.4497000      0.2547000    
 H  -0.4112000      -2.229600      -1.357700    
 H   -1.880700       2.510600     -0.3442000    
 H    4.481000      -2.426400     -0.3035000    
 H    4.609300      -1.606100       1.279200    
 H    2.014700     -0.2843000       1.965300    
 H    3.013100      0.4534000      -1.839800    
 H   -2.142500      -4.969200      9.6199997E-02
 H   -2.398200      -4.036100      -1.402100    
 H  -0.7523000      -4.533600     -0.9199000    
 H    6.510700      -1.474900      3.3300001E-02
 H   -5.116600     -0.1561000       1.427900    
 H   -5.992200      0.3842000      3.3500001E-02
 H   -5.050500      0.9901000      -1.826300    
 H   -3.355700       1.057900      -2.111000    
 H    2.045300       4.520600      0.6913000    


%chk=000060855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060855

0 1
O 1.095094 1.333107 0.329902
O 2.206440 -0.540421 1.807682
O 2.990274 -1.177377 -1.776133
O 5.513377 -1.467407 -0.830795
O -1.045489 -2.988772 1.570629
O 1.643612 3.753446 1.160947
O -0.458356 4.586321 0.618673
N -0.771708 -1.878742 -0.463140
N -2.951769 0.100927 0.151751
N -5.277469 -0.088712 -0.024879
N -4.171421 1.178130 -1.663016
C 0.851217 -0.040836 -0.216019
C -0.577806 -0.544451 0.109699
C 1.987040 -0.886929 0.403242
C -1.647585 0.445677 -0.440220
C 3.291233 -0.727719 -0.404749
C -1.243055 1.875941 -0.114541
C 0.018737 2.222346 0.270098
C 4.429713 -1.572748 0.173111
C -1.044290 -3.007229 0.306015
C 0.338694 3.618121 0.678735
C -4.055686 0.408504 -0.495039
C -1.350099 -4.272474 -0.493864
H 0.998788 0.012295 -1.313073
H -0.713494 -0.645467 1.201430
H 1.685417 -1.948035 0.389940
H -1.658926 0.336145 -1.559649
H 3.601677 0.339227 -0.419549
H -0.786272 -1.964549 -1.481584
H -2.005748 2.661471 -0.112169
H 4.102972 -2.627773 0.283056
H 4.739041 -1.174117 1.156495
H 2.104560 0.448341 1.874932
H 3.871993 -1.326991 -2.211485
H -0.769532 -5.111086 -0.075365
H -2.419839 -4.520735 -0.375108
H -1.126298 -4.181210 -1.571322
H 6.284073 -2.022804 -0.559535
H -5.202053 -0.705615 0.783109
H -6.121630 0.474934 -0.114117
H -4.989446 1.090737 -2.261555
H -3.380123 1.714330 -2.006221
H 1.783842 4.703801 1.423083


