%chk=000018334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018334

0 1
 O   -2.646100     -1.7500000E-02  0.4002000    
 O   -1.209700      -2.364100      8.8200003E-02
 O   -1.312200       2.408800      0.4656000    
 O    3.622300     -0.8764000     -0.2586000    
 N    3.536100       1.392100     -5.4000001E-02
 C   -1.288500      2.1500001E-02  0.2804000    
 C  -0.5681000      -1.162600      0.1229000    
 C  -0.6199000       1.245300      0.3142000    
 C    1.489200      0.1006000      3.3199999E-02
 C   0.8207000      -1.123100     -6.0000003E-04
 C   0.7690000       1.284800      0.1906000    
 C    2.937400      0.1418000     -9.6100003E-02
 C   -3.375400     -0.5837000     -0.6861000    
 C  -0.4000000      -3.526600     -7.5800002E-02
 C   -1.754800       3.059000     -0.7241000    
 H    1.423400      -2.016000     -0.1245000    
 H    1.224000       2.267400      0.2255000    
 H   -3.594300      -1.635700     -0.4828000    
 H   -2.844800     -0.4814000      -1.639200    
 H   -4.326900     -4.9899999E-02 -0.7672000    
 H   0.2841000      -3.665300      0.7683000    
 H   0.1193000      -3.524700      -1.040300    
 H   -1.074300      -4.389400     -8.1500001E-02
 H   -2.432200       2.411700      -1.289800    
 H  -0.9002000       3.343100      -1.346200    
 H   -2.295500       3.965300     -0.4381000    
 H    3.068400       2.280300      6.8999998E-02
 H    4.544800       1.459300     -0.1500000    


%chk=000018334-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018334

0 1
O -2.559599 0.208994 0.099431
O -1.212703 -2.232116 -0.034286
O -0.989582 2.672982 0.002138
O 3.799006 -1.027349 -0.301323
N 3.894176 1.206284 0.299042
C -1.162566 0.165250 -0.043587
C -0.430073 -1.066167 -0.063191
C -0.432588 1.389313 -0.040730
C 1.688765 0.152392 -0.039604
C 0.976410 -1.070977 -0.074057
C 0.984123 1.373009 -0.028272
C 3.192308 0.057323 -0.031647
C -3.377295 -0.488288 -0.918612
C -0.503447 -3.514548 0.045642
C -2.326336 2.938798 -0.559242
H 1.562469 -1.993433 -0.098805
H 1.480766 2.347739 -0.060439
H -3.156159 -1.567003 -0.920910
H -3.191404 -0.057590 -1.922496
H -4.420292 -0.305795 -0.617966
H 0.127787 -3.562113 0.952750
H 0.122223 -3.683874 -0.851076
H -1.295569 -4.275726 0.099310
H -3.117575 2.536410 0.091298
H -2.424122 2.507134 -1.574023
H -2.383772 4.037296 -0.615694
H 3.439001 2.060401 0.611927
H 4.911848 1.156254 0.297622


