%chk=000010518.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010518

0 1
 O   0.3212000     -0.2391000       2.353700    
 O    1.076500       1.359900      -2.114400    
 O    3.519400      -2.093900     -0.3533000    
 N    1.905800      -1.143800      0.9742000    
 N    2.276200     -0.3622000      -1.204400    
 C   0.5022000      0.6969000      0.1356000    
 C  -0.9119000      0.3385000     -0.2264000    
 C   -1.125900      -1.068500     -0.7238000    
 C   -2.137000      -1.878400      8.8200003E-02
 C   0.5845000       2.136700      0.6604000    
 C   -3.594400      -1.512100     -0.1824000    
 C   -4.001700     -0.1208000      0.2962000    
 C   -1.898900       1.245100     -0.1244000    
 C   -3.338900       1.020200     -0.4715000    
 C   0.8877000     -0.2508000       1.258700    
 C    1.297200      0.6147000      -1.157400    
 C    2.011500       2.514900      0.9960000    
 C    2.626500      -1.257400     -0.2050000    
 H   -1.435300      -1.029400      -1.776700    
 H  -0.1929000      -1.639300     -0.7301000    
 H   -2.009000      -2.936600     -0.1739000    
 H   -1.922000      -1.798500       1.160900    
 H  -1.1000000E-02   2.276300       1.572700    
 H   0.2445000       2.867600     -8.5600004E-02
 H   -4.228700      -2.245600      0.3311000    
 H   -3.810700      -1.614600      -1.253000    
 H   -3.805600     -2.2800000E-02   1.371300    
 H   -5.087900     -2.8500000E-02  0.1693000    
 H   -1.733100       2.259000      0.2197000    
 H   -3.885700       1.942900     -0.2369000    
 H   -3.442900      0.8773000      -1.553700    
 H    2.438600       1.871000       1.770900    
 H    2.667900       2.482300      0.1211000    
 H    2.040300       3.541000       1.379300    
 H    2.158300      -1.788500       1.718100    
 H    2.802300     -0.4291000      -2.071200    


%chk=000010518-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010518

0 1
O 0.372278 -0.270050 2.363754
O 1.202905 1.457473 -2.128978
O 3.599595 -2.126688 -0.408486
N 1.945116 -1.169743 0.937191
N 2.338564 -0.342957 -1.240653
C 0.495786 0.735761 0.118466
C -0.964238 0.380301 -0.283001
C -1.197229 -1.049644 -0.774672
C -2.158237 -1.884626 0.121304
C 0.659125 2.180444 0.699802
C -3.658678 -1.560030 -0.077858
C -4.088455 -0.121851 0.296734
C -1.976049 1.283067 -0.196064
C -3.420967 0.987839 -0.565339
C 0.914731 -0.254617 1.230038
C 1.353435 0.662797 -1.168052
C 2.103969 2.530260 1.113862
C 2.691463 -1.274010 -0.249410
H -1.613046 -1.023712 -1.803976
H -0.233794 -1.589199 -0.854821
H -2.006747 -2.957525 -0.112071
H -1.879410 -1.742397 1.183481
H -0.008941 2.259922 1.575376
H 0.314581 2.887934 -0.074681
H -4.256430 -2.276860 0.520097
H -3.924782 -1.743999 -1.140619
H -3.871909 0.068808 1.366032
H -5.187377 -0.045088 0.173910
H -1.770137 2.295041 0.168454
H -4.008517 1.919472 -0.470214
H -3.484587 0.686332 -1.633428
H 2.476641 1.866627 1.915650
H 2.803713 2.475525 0.259608
H 2.141671 3.563694 1.501124
H 2.198733 -1.831809 1.678458
H 2.884322 -0.392090 -2.107720


