%chk=000095917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095917

0 1
 O   -6.785900      -2.317900      6.4099997E-02
 O   -7.787400     -0.3728000     -0.1162000    
 N    5.575200     -0.6271000      0.3605000    
 N  -0.6932000      0.8630000      3.0200001E-02
 N   -1.841100       1.562200     -6.1299998E-02
 N   -4.220800       1.641100     -0.1479000    
 N   -6.743700      -1.066000     -2.8899999E-02
 C    6.743500      0.2303000      0.3372000    
 C    5.753000      -2.059700      0.4900000    
 C    4.281000     -7.3100001E-02  0.2720000    
 C    4.119300       1.307900      0.1611000    
 C    3.162900     -0.9065000      0.2969000    
 C    7.119100      0.6179000      -1.078100    
 C    5.825800      -2.734300     -0.8642000    
 C    1.721100       1.022100      9.9900000E-02
 C    2.839300       1.855600      7.5199999E-02
 C    1.882800     -0.3589000      0.2108000    
 C   0.3864000       1.593200      1.1500000E-02
 C   -3.082100      0.9064000     -5.3700000E-02
 C   -3.080400     -0.4814000      5.1399998E-02
 C   -5.483200     -0.4177000     -3.4800000E-02
 C   -4.302200      -1.145400      6.0199998E-02
 C   -5.389200      0.9610000     -0.1359000    
 H    6.628000       1.111100      0.9791000    
 H    7.601900     -0.2987000      0.7714000    
 H    6.699800      -2.263600       1.007800    
 H    5.007500      -2.532100       1.138400    
 H    4.945200       2.009800      0.1352000    
 H    3.218300      -1.987100      0.3624000    
 H    7.392800     -0.2578000      -1.673500    
 H    6.310000       1.131700      -1.604800    
 H    7.985500       1.287600      -1.064300    
 H    4.932700      -2.540900      -1.466300    
 H    6.694300      -2.394900      -1.435700    
 H    5.919100      -3.818000     -0.7391000    
 H    2.728300       2.933500     -1.0800000E-02
 H    1.029600      -1.032000      0.2285000    
 H   0.3211000       2.694200     -7.3899999E-02
 H   -1.844100       2.572500     -0.1379000    
 H   -2.172700      -1.071000      0.1267000    
 H   -4.299500      -2.229100      0.1422000    
 H   -6.263300       1.600500     -0.2140000    


%chk=000095917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095917

0 1
O -7.064800 -2.240357 0.084794
O -7.979465 -0.148581 -0.095325
N 5.674216 -0.604008 0.398395
N -0.723771 0.816426 0.013966
N -1.931418 1.484772 -0.070809
N -4.238653 1.622138 -0.142390
N -6.961207 -0.949125 -0.010560
C 6.858852 0.281560 0.359458
C 5.906047 -2.063278 0.483381
C 4.383894 -0.084563 0.265199
C 4.149157 1.325832 0.140292
C 3.226541 -0.940103 0.267609
C 7.296654 0.708383 -1.062925
C 5.869550 -2.802218 -0.876331
C 1.704009 0.988332 0.078777
C 2.846639 1.837529 0.056350
C 1.933117 -0.415982 0.183580
C 0.370724 1.562909 -0.007647
C -3.134045 0.804628 -0.050747
C -3.211508 -0.618960 0.056852
C -5.623129 -0.367012 -0.022825
C -4.479826 -1.205815 0.070182
C -5.457983 1.037450 -0.127715
H 6.663809 1.177745 0.978942
H 7.690653 -0.255496 0.850504
H 6.894874 -2.214440 0.953471
H 5.166504 -2.510343 1.174614
H 4.986143 2.027781 0.110800
H 3.342982 -2.024713 0.338299
H 7.592495 -0.167294 -1.666502
H 6.480807 1.227270 -1.595249
H 8.162184 1.394302 -1.005387
H 4.900412 -2.660199 -1.385372
H 6.663761 -2.435719 -1.550013
H 6.022401 -3.886817 -0.723847
H 2.708823 2.923129 -0.031285
H 1.068816 -1.088133 0.194474
H 0.311712 2.667685 -0.089638
H -1.993921 2.512458 -0.149187
H -2.293214 -1.204168 0.125421
H -4.615742 -2.287524 0.149910
H -6.332396 1.690121 -0.200118


