%chk=000044353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044353

0 1
 N    5.557500     -0.3550000     -0.1629000    
 N  -0.4902000      0.6140000     -0.5176000    
 N   9.0200000E-02  0.5829000      0.5911000    
 N   -4.637600      -2.287900      0.1753000    
 C   -2.771200     -0.2073000     -0.1633000    
 C    4.180600     -0.1191000      2.8700000E-02
 C   -4.137900      8.7200001E-02  2.1900000E-02
 C   -1.860900      0.8491000     -0.3296000    
 C    3.694100       1.188000      5.4499999E-02
 C    3.304600      -1.192400      0.1907000    
 C    1.462900      0.3472000      0.4033000    
 C   -4.568400       1.424300      3.7799999E-02
 C   -2.299800       2.174100     -0.3123000    
 C    2.331900       1.421700      0.2422000    
 C    1.942400     -0.9588000      0.3784000    
 C   -2.362400      -1.546000     -0.1757000    
 C   -3.650400       2.461100     -0.1290000    
 C    6.538200      0.6098000      0.2936000    
 C    6.011200      -1.572100     -0.8066000    
 C   -5.012700     -0.9888000      0.1840000    
 C   -3.322100      -2.531900     -4.4000000E-03
 H    4.347100       2.045600     -8.0600001E-02
 H    3.651700      -2.221700      0.1879000    
 H   -5.619300       1.666000      0.1797000    
 H   -1.595200       2.991900     -0.4422000    
 H    1.960600       2.442900      0.2588000    
 H    1.267500      -1.800600      0.5076000    
 H   -1.327300      -1.838600     -0.3184000    
 H   -3.989400       3.492900     -0.1161000    
 H    7.531200      0.1544000      0.3790000    
 H    6.285100       1.000400       1.285700    
 H    6.618900       1.444200     -0.4110000    
 H    5.388900      -1.824300      -1.672700    
 H    6.003000      -2.410100     -0.1019000    
 H    7.036600      -1.463800      -1.177600    
 H   -6.077800     -0.8318000      0.3309000    
 H   -3.044600      -3.581000     -9.3999999E-03


%chk=000044353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044353

0 1
N 5.767645 -0.346095 -0.192262
N -0.626206 0.099847 0.093675
N 0.268960 0.322916 1.035239
N -5.079963 -0.410198 -2.416647
C -2.990457 0.054070 -0.493316
C 4.412268 -0.188809 0.084971
C -4.382350 0.237600 -0.145292
C -1.977059 0.300154 0.510440
C 3.416961 -0.419158 -0.929474
C 3.960291 0.207951 1.388344
C 1.613994 0.133663 0.644397
C -4.739125 0.656485 1.175177
C -2.367735 0.712315 1.801924
C 2.056688 -0.261905 -0.655231
C 2.593854 0.363263 1.651335
C -2.693901 -0.366653 -1.829363
C -3.739867 0.888515 2.129368
C 6.209916 -0.757961 -1.533726
C 6.768023 -0.109477 0.859589
C -5.367220 -0.014646 -1.162331
C -3.738504 -0.580777 -2.731301
H 3.721121 -0.722548 -1.935135
H 4.678800 0.393219 2.190875
H -5.797765 0.791856 1.426506
H -1.583947 0.892468 2.544092
H 1.304514 -0.438450 -1.430304
H 2.246249 0.666001 2.644936
H -1.651520 -0.513609 -2.120680
H -4.012759 1.209342 3.140937
H 7.308625 -0.823127 -1.551934
H 5.898727 -0.029624 -2.308537
H 5.804508 -1.751010 -1.811712
H 6.625329 -0.792977 1.720209
H 6.724918 0.931642 1.236582
H 7.776061 -0.281847 0.452398
H -6.431417 0.116765 -0.924663
H -3.540657 -0.902702 -3.759287


