%chk=000003970.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003970

0 1
 O   0.3012000      -1.714900     -0.1836000    
 N   -4.680000      0.7524000      0.5393000    
 N  -0.6750000      0.3735000     -0.2352000    
 N    1.781900       1.472600     -5.8899999E-02
 N    3.102400       1.703000      2.9999999E-02
 C   -4.428000      0.5845000     -0.9038000    
 C   -4.141000     -0.4962000       1.109200    
 C   -4.798800     -0.8743000      -1.192300    
 C   -4.608500      -1.592400      0.1455000    
 C   -2.923200      0.8477000      -1.116600    
 C   -2.605800     -0.3480000       1.109300    
 C   -2.033800     -0.1065000     -0.2992000    
 C   -6.094200      0.9505000      0.8474000    
 C   0.4154000     -0.4897000     -0.1810000    
 C    1.732700      0.1550000     -8.6000003E-02
 C    2.966200     -0.4851000     -1.8700000E-02
 C    3.869100      0.5694000      5.8100000E-02
 C    3.447400      -1.805000     -1.1800000E-02
 C    5.250800      0.3844000      0.1430000    
 C    3.576600       3.066700      8.3999999E-02
 C    4.829900      -2.012600      7.2700001E-02
 C    5.714500     -0.9352000      0.1484000    
 H   -5.002100       1.285200      -1.520500    
 H   -4.480800     -0.6773000       2.135200    
 H   -4.188100      -1.318500      -1.984900    
 H   -5.847700     -0.9524000      -1.502200    
 H   -5.566600      -2.012600      0.4736000    
 H   -3.896300      -2.420200      6.7000002E-02
 H   -2.673400      0.7547000      -2.181100    
 H   -2.703800       1.889100     -0.8425000    
 H   -2.328000      0.4856000       1.769500    
 H   -2.145300      -1.244900       1.542600    
 H   -2.012500      -1.070800     -0.8227000    
 H   -6.230700       1.057100       1.929100    
 H   -6.742100      0.1378000      0.5034000    
 H   -6.449700       1.881900      0.3932000    
 H  -0.5163000       1.375200     -0.1711000    
 H    2.777000      -2.656800     -7.0200004E-02
 H    5.939600       1.219800      0.2021000    
 H    2.726200       3.752800      4.9800001E-02
 H    4.126200       3.203600       1.018600    
 H    4.227600       3.239100     -0.7767000    
 H    5.218500      -3.027700      7.9099998E-02
 H    6.783200      -1.124300      0.2130000    


%chk=000003970-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003970

0 1
O 0.272953 -1.775481 -0.357821
N -4.832771 0.826946 0.388758
N -0.679775 0.349420 -0.082840
N 1.847423 1.477346 0.132769
N 3.213085 1.735826 0.198725
C -4.417946 0.443260 -1.000976
C -4.261121 -0.307970 1.187757
C -4.717656 -1.098760 -1.109656
C -4.613544 -1.605161 0.369398
C -2.905032 0.749041 -1.136031
C -2.731932 -0.082426 1.281699
C -2.079981 -0.097185 -0.130481
C -6.295814 0.994830 0.549911
C 0.391304 -0.516617 -0.181152
C 1.727547 0.129985 -0.066053
C 3.022866 -0.499842 -0.130379
C 3.965089 0.570520 0.044869
C 3.487721 -1.828956 -0.312523
C 5.364700 0.357113 0.044230
C 3.693882 3.098457 0.407714
C 4.876825 -2.046587 -0.313789
C 5.800910 -0.968004 -0.137990
H -4.985506 1.036569 -1.739600
H -4.701938 -0.313864 2.200348
H -4.000973 -1.607351 -1.778622
H -5.729009 -1.271040 -1.518943
H -5.572355 -2.033676 0.711587
H -3.842361 -2.386010 0.492709
H -2.554217 0.544995 -2.165460
H -2.758099 1.827456 -0.930919
H -2.558155 0.899483 1.761837
H -2.258535 -0.860612 1.909607
H -2.034889 -1.143044 -0.485306
H -6.515418 1.257933 1.600180
H -6.905010 0.096371 0.287012
H -6.635168 1.832664 -0.085343
H -0.469527 1.339714 0.076908
H 2.766696 -2.639777 -0.444922
H 6.078091 1.176549 0.178248
H 2.815551 3.754826 0.488417
H 4.285829 3.169835 1.338194
H 4.318064 3.431718 -0.441153
H 5.267142 -3.060744 -0.451416
H 6.875755 -1.181551 -0.145400


