%chk=000028791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028791

0 1
 N    3.274100      -1.424000      0.1515000    
 N   -1.077100     -8.6400002E-02 -0.4531000    
 N   -1.258400      -2.276600     -0.1214000    
 N   0.1685000       3.385400      0.2039000    
 C    4.137000      -1.261200       1.321100    
 C    3.712700     -0.3942000     -0.7901000    
 C    5.508000      -1.030600      0.7031000    
 C    5.229200     -0.4575000     -0.6830000    
 C    1.861600      -1.308700      0.4827000    
 C   0.9915000      -1.436100     -0.7693000    
 C  -0.4766000       1.191400     -0.7642000    
 C  -0.4735000      -1.294700     -0.4375000    
 C   -2.388600     -0.2977000     -0.1129000    
 C  -0.5313000       2.129700      0.4561000    
 C   -2.476500      -1.672300      8.9000002E-02
 C   -1.091100       1.805900      -2.027400    
 C   -3.472500      0.5692000      3.1199999E-02
 C   -3.711400      -2.232800      0.4569000    
 C   -4.693800     -5.7999999E-03  0.3979000    
 C    1.615000       3.161200     -5.6400001E-02
 C  -3.3599999E-02   4.317300       1.314400    
 C   -4.813300      -1.381600      0.6073000    
 H    4.129300      -2.145100       1.966600    
 H    3.850500     -0.3876000       1.920700    
 H    3.362800      0.6037000     -0.4990000    
 H    3.405700     -0.5921000      -1.821400    
 H    6.057000      -1.975000      0.6100000    
 H    6.112700     -0.3489000       1.309800    
 H    5.681700      0.5312000     -0.8109000    
 H    5.648100      -1.120700      -1.449000    
 H    1.588000      -2.101400       1.191100    
 H    1.653800     -0.3542000      0.9848000    
 H    1.133800      -2.442700      -1.187900    
 H    1.268000     -0.7585000      -1.580100    
 H   0.5694000      0.9999000     -0.9951000    
 H  -0.1082000       1.621800       1.334200    
 H   -1.569500       2.361500      0.7088000    
 H  -0.4891000       2.648600      -2.383900    
 H   -1.132600       1.070000      -2.838600    
 H   -2.105300       2.179900      -1.865600    
 H   -3.409700       1.636400     -0.1353000    
 H   -3.814500      -3.300600      0.6219000    
 H   -5.567000      0.6305000      0.5197000    
 H    1.782900       2.684200      -1.025700    
 H    2.081600       2.564000      0.7345000    
 H    2.137300       4.123600     -0.1092000    
 H   0.3786000       3.931100       2.253600    
 H   -1.099700       4.522900       1.460800    
 H   0.4429000       5.280000       1.098700    
 H   -5.776000      -1.799200      0.8909000    


%chk=000028791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028791

0 1
N 3.339453 -1.385863 0.100813
N -1.128786 -0.044086 -0.467015
N -1.270552 -2.311072 -0.119141
N 0.186185 3.462318 0.222232
C 4.245238 -1.358554 1.279018
C 3.946008 -0.456666 -0.889180
C 5.646674 -1.419050 0.634266
C 5.485033 -0.610044 -0.694236
C 1.922974 -1.138981 0.412980
C 0.996008 -1.463691 -0.789951
C -0.536798 1.274132 -0.803743
C -0.461195 -1.292875 -0.466577
C -2.464398 -0.300494 -0.092614
C -0.569369 2.210212 0.441556
C -2.529647 -1.721306 0.121374
C -1.190565 1.911161 -2.047025
C -3.599998 0.524099 0.076993
C -3.742630 -2.331399 0.512998
C -4.801759 -0.103105 0.469175
C 1.650986 3.282185 0.285695
C -0.269222 4.564231 1.096101
C -4.875076 -1.510126 0.685246
H 4.034011 -2.210056 1.949757
H 4.130094 -0.413394 1.872061
H 3.635955 0.603529 -0.685224
H 3.622596 -0.706662 -1.915042
H 5.906574 -2.468263 0.412781
H 6.427344 -1.003127 1.294552
H 5.967445 0.380914 -0.626880
H 5.948218 -1.145915 -1.539736
H 1.629576 -1.791169 1.255917
H 1.755962 -0.077480 0.744449
H 1.151281 -2.519993 -1.063573
H 1.281803 -0.850191 -1.665625
H 0.522780 1.074537 -1.042165
H -0.187981 1.632371 1.322052
H -1.617589 2.478511 0.663890
H -0.741913 2.905872 -2.209977
H -1.026493 1.284757 -2.941402
H -2.278916 2.038118 -1.917947
H -3.574925 1.605615 -0.086306
H -3.784235 -3.413101 0.673463
H -5.700609 0.507953 0.609053
H 1.989987 2.551269 -0.469446
H 2.004023 2.928523 1.288093
H 2.148392 4.243082 0.064739
H -0.086407 4.375681 2.183850
H -1.351557 4.730692 0.954404
H 0.257184 5.495878 0.820862
H -5.828764 -1.955776 0.988635


