%chk=000056743.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056743

0 1
 O   -2.600100       1.560200     -0.2532000    
 O    6.335500     -1.3600000E-02  6.2199999E-02
 N    1.504300     -9.5500000E-02  0.3811000    
 C  -0.9469000     -3.9200000E-02  0.5272000    
 C   -1.170500       1.312000     -0.1848000    
 C   -2.257500     -0.6729000      0.2237000    
 C   0.2741000     -0.7839000      1.2100000E-02
 C  -0.5116000       2.472900      0.5449000    
 C   -3.152800      0.3064000     -0.1846000    
 C   -2.666800      -1.988400      0.3573000    
 C  -0.7729000       3.794400     -0.1563000    
 C    2.670300     -0.8072000     -0.1238000    
 C   -4.474400      2.1299999E-02 -0.4695000    
 C   -3.996000      -2.302900      6.0600001E-02
 C    3.947300     -5.6299999E-02  0.2398000    
 C   -4.894300      -1.304000     -0.3485000    
 C    5.184100     -0.7660000     -0.2945000    
 C    7.528500     -0.6373000     -0.3939000    
 H  -0.8885000      9.6400000E-02   1.615900    
 H  -0.8090000       1.276100      -1.222900    
 H   0.2858000      -1.797300      0.4330000    
 H   0.2120000     -0.8943000      -1.078500    
 H   0.5693000       2.328400      0.6232000    
 H  -0.9084000       2.547600       1.564800    
 H    1.562500     -9.6000005E-03   1.395400    
 H   -1.984700      -2.761400      0.6939000    
 H   -1.839700       4.037900     -0.1760000    
 H  -0.2576000       4.606100      0.3675000    
 H  -0.4051000       3.772300      -1.187100    
 H    2.609100     -0.8997000      -1.214900    
 H    2.710100      -1.819100      0.2976000    
 H   -5.165700      0.7961000     -0.7813000    
 H   -4.341500      -3.328700      0.1563000    
 H    4.034600      5.0400000E-02   1.328900    
 H    3.917300      0.9659000     -0.1596000    
 H   -5.925500      -1.566400     -0.5687000    
 H    5.127700     -0.8514000      -1.386000    
 H    5.254800      -1.772000      0.1357000    
 H    7.642300      -1.626200      6.0699999E-02
 H    7.524500     -0.7215000      -1.484900    
 H    8.377300     -1.6400000E-02 -9.5100001E-02


%chk=000056743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056743

0 1
O -2.116088 1.318331 -1.012922
O 6.474967 -0.143863 -0.061290
N 1.600341 -0.266599 0.410983
C -0.857140 0.029179 0.666839
C -0.916207 1.403698 -0.077004
C -2.231659 -0.564594 0.390545
C 0.284364 -0.876427 0.135916
C -1.106446 2.615747 0.847159
C -2.873999 0.212049 -0.603162
C -2.866935 -1.710247 0.900125
C -1.210886 3.951122 0.082989
C 2.754757 -0.954278 -0.207727
C -4.139103 -0.121714 -1.120009
C -4.147806 -2.066944 0.401835
C 4.069018 -0.226590 0.137277
C -4.768949 -1.279435 -0.598660
C 5.293707 -0.900029 -0.489200
C 7.711448 -0.688781 -0.615668
H -0.694639 0.195850 1.751493
H -0.036582 1.542963 -0.728299
H 0.168747 -1.900766 0.569955
H 0.174971 -0.984064 -0.961220
H -0.241819 2.643496 1.541198
H -2.012729 2.455711 1.464979
H 1.748301 -0.127281 1.421664
H -2.385668 -2.321445 1.672798
H -2.051336 3.920863 -0.631413
H -1.373081 4.795311 0.777272
H -0.285837 4.153841 -0.488980
H 2.601347 -0.950848 -1.305718
H 2.831182 -2.029044 0.100284
H -4.612708 0.494380 -1.889731
H -4.658856 -2.953600 0.791823
H 4.210968 -0.200195 1.236333
H 4.009249 0.821140 -0.207701
H -5.757554 -1.564768 -0.976133
H 5.219749 -0.896535 -1.601422
H 5.378710 -1.960353 -0.155098
H 7.879882 -1.737668 -0.287807
H 7.708325 -0.660938 -1.726908
H 8.527894 -0.053475 -0.237696


