%chk=000148210.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148210

0 1
 O   0.1424000       2.699000     -0.3124000    
 N    3.948300      -1.030200     -0.6442000    
 N   0.6358000      0.4201000     -0.3187000    
 C    2.810000      0.7827000      0.8350000    
 C    2.069900      0.6137000     -0.5068000    
 C    2.861500     -0.5750000       1.557900    
 C    4.260300       1.171200      0.5011000    
 C    2.708000     -0.5480000      -1.295400    
 C    3.592500      -1.598500      0.6743000    
 C    4.864200      0.1135000     -0.4383000    
 C   0.1785000     -0.8794000     -0.2090000    
 C  -0.2201000       1.527000     -0.2400000    
 C   -1.111600      -1.192500     -2.7000001E-02
 C   -2.098600     -0.1042000      2.5300000E-02
 C   -1.667300       1.228100     -6.1099999E-02
 C   -1.594500      -2.609100      0.1164000    
 C   -3.473000     -0.3827000      0.1487000    
 C   -3.007600      -2.782700     -0.4355000    
 C   -3.973300      -1.803600      0.2317000    
 C   -2.590700       2.276900      7.6000001E-03
 C   -4.387200      0.6764000      0.2311000    
 C   -3.947500       1.997400      0.1595000    
 H    2.339900       1.541800       1.469200    
 H    2.198000       1.539200      -1.085200    
 H    1.864600     -0.9289000       1.834600    
 H    3.410900     -0.4607000       2.501200    
 H    4.853100       1.240000       1.421200    
 H    4.289400       2.156800      2.1800000E-02
 H    2.090000      -1.394900      -1.599800    
 H    3.003200     -0.1385000      -2.273700    
 H    4.500400      -1.950000       1.181000    
 H    2.972900      -2.493200      0.5396000    
 H    5.114400      0.5681000      -1.405200    
 H    5.816800     -0.2453000     -2.8999999E-02
 H   0.8808000      -1.698800     -0.1834000    
 H  -0.9220000      -3.304300     -0.4004000    
 H   -1.584800      -2.880800       1.179700    
 H   -3.349800      -3.810300     -0.2682000    
 H   -3.002000      -2.618600      -1.521200    
 H   -4.103400      -2.066600       1.288500    
 H   -4.951300      -1.887600     -0.2568000    
 H   -2.274900       3.314500     -5.4699998E-02
 H   -5.449700      0.4767000      0.3461000    
 H   -4.665200       2.810700      0.2178000    


%chk=000148210-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148210

0 1
O 0.253254 2.653992 -0.364590
N 4.083567 -0.921509 -0.720791
N 0.621255 0.333836 -0.311479
C 2.838715 0.702971 0.884287
C 2.081029 0.610915 -0.478941
C 2.973960 -0.692035 1.550450
C 4.262398 1.248156 0.577406
C 2.852785 -0.411372 -1.391076
C 3.716883 -1.640966 0.538072
C 4.978523 0.231304 -0.387457
C 0.123115 -0.963057 -0.158645
C -0.233539 1.478110 -0.267844
C -1.214049 -1.247698 0.018247
C -2.162533 -0.147178 0.025518
C -1.675242 1.193718 -0.115881
C -1.714032 -2.671048 0.212250
C -3.572939 -0.376321 0.162864
C -3.146360 -2.834008 -0.350314
C -4.093712 -1.801774 0.305129
C -2.579993 2.288342 -0.105979
C -4.445220 0.726453 0.158118
C -3.957145 2.056428 0.031212
H 2.298479 1.403036 1.544361
H 2.106100 1.619972 -0.925890
H 1.982488 -1.090945 1.831625
H 3.550742 -0.589546 2.488816
H 4.823874 1.359650 1.524062
H 4.192410 2.252596 0.119361
H 2.225580 -1.275488 -1.672768
H 3.155674 0.081952 -2.331641
H 4.647920 -2.041761 0.977595
H 3.091536 -2.510580 0.260789
H 5.270251 0.717335 -1.335930
H 5.897032 -0.178020 0.070167
H 0.862241 -1.766357 -0.190180
H -1.021931 -3.391224 -0.263616
H -1.735807 -2.919213 1.294768
H -3.514207 -3.859603 -0.160728
H -3.132810 -2.682328 -1.446970
H -4.197108 -2.050378 1.382864
H -5.108520 -1.875194 -0.128856
H -2.168544 3.297190 -0.210750
H -5.524881 0.554548 0.252083
H -4.659937 2.896500 0.033585


