%chk=000039404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039404

0 1
 O   -5.717700      0.4763000      -1.781900    
 O   -2.829500      -1.560300      0.9246000    
 O    5.607500     -0.3293000     -0.5309000    
 O    4.318100      -2.098900     -0.3733000    
 N   -3.856900      0.4470000      0.3598000    
 N    4.482000     -0.8550000     -0.3539000    
 C    1.012500      0.2544000      0.2968000    
 C   -5.227400      1.2400000E-02  0.5128000    
 C    2.097700     -0.5777000      7.4400000E-02
 C    3.359200     -1.6500000E-02 -0.1244000    
 C  -0.3206000     -0.3374000      0.5063000    
 C    1.154400       1.632400      0.3257000    
 C   -5.762500     -0.5467000     -0.7958000    
 C    3.518100       1.369100     -9.8300003E-02
 C   -1.478600      0.3209000      0.3502000    
 C    2.415600       2.193500      0.1269000    
 C   -2.771700     -0.3841000      0.5810000    
 H   -5.802500      0.8927000      0.8176000    
 H   -5.285800     -0.7429000       1.302800    
 H    1.952300      -1.655400      5.6000002E-02
 H  -0.3227000      -1.385000      0.7987000    
 H   0.3304000       2.311500      0.5195000    
 H   -3.705300       1.409900      7.3399998E-02
 H   -6.802000     -0.8667000     -0.6806000    
 H   -5.171600      -1.397800      -1.149300    
 H   -1.530700       1.356200      3.3799998E-02
 H    4.485600       1.841500     -0.2479000    
 H    2.540600       3.272200      0.1525000    
 H   -4.787600      0.7405000      -1.886400    


%chk=000039404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039404

0 1
O -6.075946 0.511461 -1.669984
O -2.860626 -1.582480 0.425398
O 5.771480 -0.466698 -0.176843
O 4.326661 -2.227027 -0.071989
N -3.940206 0.478581 0.457550
N 4.583727 -0.963452 -0.093772
C 1.025990 0.349508 0.142728
C -5.279454 -0.119126 0.610106
C 2.132963 -0.537747 0.071312
C 3.437589 -0.016135 -0.018695
C -0.325394 -0.225479 0.235650
C 1.283630 1.752768 0.121396
C -5.868408 -0.601722 -0.731906
C 3.698918 1.369795 -0.040428
C -1.511686 0.446290 0.300996
C 2.598169 2.251681 0.031303
C -2.795718 -0.311447 0.398032
H -5.947172 0.641105 1.051671
H -5.203277 -0.980451 1.299476
H 1.989772 -1.622578 0.084627
H -0.398868 -1.322871 0.255449
H 0.449402 2.459971 0.176873
H -3.851121 1.495492 0.470065
H -6.871935 -1.025098 -0.561467
H -5.216490 -1.384875 -1.165167
H -1.559511 1.543848 0.288144
H 4.729297 1.727150 -0.110493
H 2.771190 3.332393 0.017244
H -5.192077 0.803941 -2.007176


