%chk=000044906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044906

0 1
 N   -5.272100     -0.5826000     -0.2102000    
 N    4.917600     -0.3749000      0.2087000    
 N   -7.685600     -0.8281000     -9.0200000E-02
 N    6.644500      -2.082700      0.1933000    
 C  -0.3437000      0.1993000     -0.2522000    
 C   0.8066000       1.099000      0.2045000    
 C   -1.713100      0.6529000      0.2619000    
 C    2.152500      0.5823000     -0.3107000    
 C   -2.871000     -0.2026000     -0.2541000    
 C    3.307300       1.465800      0.1706000    
 C   -4.204100      0.2688000      0.3158000    
 C    4.664100      0.9682000     -0.3150000    
 C   -6.460000     -0.2826000      0.1769000    
 C    6.056900     -0.8828000     -9.9299997E-02
 H  -0.3639000      0.1724000      -1.348900    
 H  -0.1597000     -0.8281000      8.5900001E-02
 H   0.8230000       1.141000       1.300300    
 H   0.6396000       2.120800     -0.1566000    
 H   -1.878600       1.696400     -3.3799998E-02
 H   -1.705300      0.6326000       1.358800    
 H    2.296200     -0.4478000      3.5999998E-02
 H    2.142400      0.5564000      -1.407100    
 H   -2.901500     -0.1626000      -1.350000    
 H   -2.705000      -1.252400      1.7600000E-02
 H    3.156200       2.492000     -0.1847000    
 H    3.305000       1.500100       1.267200    
 H   -4.180000      0.2087000       1.410700    
 H   -4.378400       1.313500      3.0600000E-02
 H    4.681400      0.9575000      -1.411700    
 H    5.439900       1.661500      3.2000002E-02
 H   -6.593000      0.5741000      0.8626000    
 H    6.750200     -0.2892000     -0.7229000    
 H   -7.780100      -1.629900     -0.7041000    
 H   -8.535800     -0.4497000      0.3135000    
 H    6.167500      -2.775900      0.7596000    
 H    7.572300      -2.317000     -0.1434000    


%chk=000044906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044906

0 1
N -5.358141 -0.665366 0.513232
N 4.965352 -0.457522 -0.543018
N -7.491585 -0.817022 -0.479227
N 6.464842 -2.029189 0.373958
C -0.417869 0.198883 -0.215537
C 0.832920 0.993922 0.222219
C -1.694712 0.585607 0.564078
C 2.109897 0.591164 -0.547270
C -2.941149 -0.209770 0.117969
C 3.353915 1.399850 -0.120003
C -4.213810 0.177798 0.905461
C 4.651686 0.954665 -0.836766
C -6.381918 -0.096758 -0.057992
C 6.092905 -0.731745 0.049220
H -0.590148 0.355091 -1.301125
H -0.224312 -0.886324 -0.086199
H 0.999235 0.843766 1.309962
H 0.642318 2.079918 0.084914
H -1.882198 1.673592 0.439500
H -1.523725 0.422539 1.649186
H 2.321990 -0.485032 -0.399579
H 1.943113 0.729345 -1.636737
H -3.125610 -0.050953 -0.963691
H -2.765261 -1.295327 0.250875
H 3.187541 2.477043 -0.331753
H 3.501275 1.304516 0.975046
H -4.022392 0.017677 1.986313
H -4.408685 1.271512 0.764818
H 4.502799 1.053559 -1.931967
H 5.482858 1.646784 -0.551241
H -6.459763 0.994321 -0.256137
H 6.847407 0.030690 0.342420
H -7.501980 -1.825441 -0.337334
H -8.282941 -0.358988 -0.919519
H 5.832346 -2.792435 0.140209
H 7.346098 -2.225972 0.837317


