%chk=000046983.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046983

1 1
 O    2.299300     -4.0300000E-02 -0.9684000    
 O    2.760900     -9.0999998E-02   1.309800    
 N   -3.161100     -0.2903000      0.2462000    
 N    4.476800      1.3800000E-02 -0.2481000    
 C   -1.669200     -0.2050000     -8.5299999E-02
 C   -3.567700      -1.760100      0.3036000    
 C   -3.947100      0.4488000     -0.8332000    
 C   -3.490400      0.3476000       1.594300    
 C   -1.111500       1.025700     -0.1826000    
 C   -1.026700      -1.387800     -0.2558000    
 C   0.2491000       1.082700     -0.4854000    
 C   -1.862900       2.301700      1.3800000E-02
 C   0.3338000      -1.330700     -0.5587000    
 C   0.9717000     -9.5500000E-02 -0.6733000    
 C    3.156700     -4.4300001E-02  0.1488000    
 C    5.588200      2.4599999E-02  0.6743000    
 H   -3.047600      -2.264600       1.125500    
 H   -4.641700      -1.794000      0.5259000    
 H   -3.434500      -2.225400     -0.6793000    
 H   -3.410600      0.4023000      -1.786600    
 H   -4.903200     -7.3200002E-02 -0.9573000    
 H   -4.197900       1.468300     -0.5387000    
 H   -3.850500       1.371500       1.487900    
 H   -4.310400     -0.2183000       2.051100    
 H   -2.616000      0.2815000       2.249300    
 H   -1.426300      -2.388700     -0.1868000    
 H   0.7579000       2.039200     -0.5791000    
 H   -1.149700       3.137900     -4.2100001E-02
 H   -2.556800       2.525000     -0.7958000    
 H   -2.285900       2.425900       1.007000    
 H   0.8927000      -2.251500     -0.7045000    
 H    4.678100      5.0299998E-02  -1.242700    
 H    6.221200     -0.8387000      0.4555000    
 H    5.246700     -1.8999999E-02   1.711100    
 H    6.158800      0.9418000      0.5099000    


%chk=000046983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046983

1 1
O 2.397044 -0.691801 -0.098333
O 3.106795 1.571355 0.279510
N -3.349368 -0.335259 0.124747
N 4.606445 -0.208954 -0.073907
C -1.807971 -0.330654 0.056569
C -3.955025 -1.699811 -0.226443
C -3.948884 0.658970 -0.880925
C -3.811387 -0.014143 1.554834
C -1.046537 0.867394 0.228323
C -1.154980 -1.570722 -0.148821
C 0.368374 0.757037 0.181069
C -1.562987 2.294095 0.412526
C 0.244025 -1.654933 -0.196664
C 1.015488 -0.482779 -0.031423
C 3.383204 0.371910 0.061137
C 5.855631 0.560881 0.026934
H -3.641175 -2.451919 0.510190
H -5.050144 -1.595874 -0.191013
H -3.644871 -1.993628 -1.239235
H -3.587459 0.392071 -1.884871
H -5.046741 0.584568 -0.836490
H -3.638388 1.678305 -0.633647
H -3.443221 0.973609 1.853361
H -4.912341 -0.030816 1.587010
H -3.396015 -0.777673 2.228520
H -1.708185 -2.501095 -0.279914
H 0.976062 1.654580 0.309151
H -0.780267 2.903753 0.890912
H -1.772940 2.769781 -0.564637
H -2.463971 2.399576 1.038493
H 0.744312 -2.612990 -0.358092
H 4.638207 -1.214084 -0.251802
H 6.479022 0.186818 0.857705
H 5.602485 1.614532 0.219275
H 6.429964 0.498101 -0.913751


