%chk=000049005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049005

0 1
 O   0.6513000     -0.6819000      0.1795000    
 O    2.224800      -2.159300     -0.5958000    
 N   -2.101100      5.7599999E-02 -0.2511000    
 C   -3.323000      0.6383000      0.2758000    
 C   -3.817100       1.820700     -0.5489000    
 C   -4.506200     -0.3200000      0.2128000    
 C   -5.274200       1.974500     -0.1209000    
 C   -5.718800      0.5937000      0.3694000    
 C   -1.667400      -1.075300      0.5575000    
 C  -0.3443000      -1.709300      8.9500003E-02
 C   8.9199997E-02  -2.861900       1.000000    
 C  -0.4070000      -2.171200      -1.369200    
 C    1.915600      -1.040800     -0.1984000    
 C    2.838400      8.7200001E-02 -6.2199999E-02
 C    4.177800     -0.1507000      0.2237000    
 C    2.366500       1.385200     -0.2203000    
 C    5.057500      0.9240000      0.3534000    
 C    3.246200       2.460000     -9.0700001E-02
 C    4.591800       2.229300      0.1961000    
 H   -3.168900      0.9740000       1.310900    
 H   -3.772600       1.598200      -1.622800    
 H   -3.236400       2.731500     -0.3716000    
 H   -4.489800      -1.084200      0.9961000    
 H   -4.554400     -0.8290000     -0.7586000    
 H   -5.896400       2.333600     -0.9468000    
 H   -5.357800       2.702000      0.6946000    
 H   -6.019600      0.6536000       1.421800    
 H   -6.576900      0.2173000     -0.1968000    
 H   -1.365000      0.7625000     -0.2760000    
 H   -2.429800      -1.862700      0.5541000    
 H   -1.539400     -0.7404000       1.595600    
 H   0.8752000      -3.501800      0.5915000    
 H  -0.7595000      -3.528700       1.193400    
 H   0.4456000      -2.486000       1.966200    
 H  -0.3296000      -1.327100      -2.064200    
 H   0.3660000      -2.892300      -1.648900    
 H   -1.358800      -2.680500      -1.563200    
 H    4.554600      -1.161900      0.3516000    
 H    1.326900       1.594400     -0.4572000    
 H    6.105000      0.7447000      0.5772000    
 H    2.884600       3.476400     -0.2161000    
 H    5.276800       3.066100      0.2963000    


%chk=000049005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049005

0 1
O 0.646297 -0.853746 0.229176
O 2.422489 -2.175066 -0.549076
N -2.042944 -0.123526 -0.129146
C -3.268509 0.587328 0.290708
C -3.524137 1.848828 -0.568165
C -4.566052 -0.234038 0.071999
C -5.026905 2.181879 -0.343365
C -5.703905 0.827521 0.073029
C -1.653119 -1.261728 0.722268
C -0.389867 -1.981587 0.192228
C 0.043623 -3.096825 1.160743
C -0.566575 -2.472115 -1.255532
C 1.967544 -1.072088 -0.150707
C 2.790456 0.173725 -0.024818
C 4.144786 0.116416 -0.444633
C 2.264835 1.384835 0.495397
C 4.964542 1.259503 -0.348777
C 3.088942 2.526265 0.591781
C 4.438289 2.467082 0.169279
H -3.226269 0.891875 1.370328
H -3.332712 1.581615 -1.625558
H -2.857341 2.691391 -0.305617
H -4.724959 -1.017883 0.834620
H -4.484075 -0.729939 -0.914554
H -5.483487 2.610873 -1.252879
H -5.143362 2.933090 0.459370
H -6.152908 0.917084 1.079486
H -6.518493 0.542517 -0.616215
H -1.246681 0.520422 -0.239695
H -2.476533 -2.000843 0.729918
H -1.463627 -0.968912 1.785922
H 0.943979 -3.610248 0.790037
H -0.771561 -3.837761 1.254325
H 0.252260 -2.684477 2.164161
H -0.893937 -1.640036 -1.899415
H 0.367221 -2.910325 -1.639972
H -1.355826 -3.246266 -1.277447
H 4.528960 -0.829705 -0.840027
H 1.222285 1.417432 0.823530
H 6.008919 1.211801 -0.675593
H 2.682596 3.460020 0.995768
H 5.075563 3.355411 0.244418


