%chk=000055142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055142

0 1
 O   0.5029000      0.7256000      2.2900000E-02
 O    3.959900      -1.422100     -3.3000000E-03
 N    1.683700       2.723100      5.0200000E-02
 C   0.4555000     -0.6450000      4.3000001E-03
 C  -0.8073000      -1.238300     -4.9000001E-03
 C    1.597700      -1.442100     -4.9999999E-03
 C   -2.017400     -0.4397000      4.6000001E-03
 C    1.740900       1.358200      3.2299999E-02
 C    2.913600     -0.7888000      5.2999998E-03
 C  -0.9208000      -2.628900     -2.3499999E-02
 C    1.489500      -2.834600     -2.3600001E-02
 C    2.904300      0.6865000      2.4800001E-02
 C   0.2254000      -3.425100     -3.2900002E-02
 C   -2.598000     -7.3200002E-02   1.217000    
 C   -2.595600     -4.0899999E-02  -1.198700    
 C    2.894600       3.532500      6.2100001E-02
 C   0.4354000       3.433800     -0.1911000    
 C   -3.762000      0.6954000       1.226200    
 C   -3.759600      0.7277000      -1.189600    
 C   -4.342800       1.095800      2.2900000E-02
 H   -1.895600      -3.111300     -3.0900000E-02
 H    2.370500      -3.469800     -3.0999999E-02
 H    3.878100       1.161800      2.7799999E-02
 H   0.1331000      -4.507300     -4.7499999E-02
 H   -2.157300     -0.3763000       2.163800    
 H   -2.153000     -0.3187000      -2.152300    
 H    3.450500       3.414900     -0.8747000    
 H    3.542100       3.265800      0.9051000    
 H    2.671700       4.599500      0.1743000    
 H  -0.3652000       3.058200      0.4563000    
 H   0.1270000       3.316100      -1.235500    
 H   0.5246000       4.506000      1.3900000E-02
 H   -4.215900      0.9825000       2.170200    
 H   -4.211600       1.039900      -2.126400    
 H   -5.248900       1.694500      2.9999999E-02


%chk=000055142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055142

0 1
O 0.574100 0.749908 0.055636
O 4.090012 -1.514822 0.054229
N 1.722082 2.742394 0.170528
C 0.492458 -0.662840 -0.029350
C -0.813681 -1.218309 -0.129771
C 1.667606 -1.450788 -0.044693
C -2.061777 -0.398990 -0.107086
C 1.827073 1.370413 0.113369
C 3.020846 -0.810469 0.050242
C -0.888865 -2.628546 -0.263374
C 1.542278 -2.855835 -0.168610
C 3.011763 0.637306 0.119808
C 0.269521 -3.442023 -0.282863
C -2.266382 0.631433 0.851458
C -3.105752 -0.676213 -1.031708
C 2.955143 3.538580 0.261680
C 0.439385 3.460310 0.060046
C -3.476062 1.358096 0.883166
C -4.314290 0.053405 -1.003081
C -4.505759 1.074969 -0.044646
H -1.879546 -3.092617 -0.323146
H 2.466306 -3.443212 -0.173373
H 3.976321 1.144456 0.162436
H 0.167273 -4.527976 -0.376896
H -1.483352 0.846270 1.585590
H -2.957075 -1.451963 -1.791709
H 3.586702 3.418604 -0.640454
H 3.553119 3.249366 1.146382
H 2.684103 4.601241 0.359058
H -0.385552 2.743167 -0.043239
H 0.443379 4.123979 -0.826121
H 0.263338 4.078107 0.961475
H -3.619301 2.138964 1.638799
H -5.101935 -0.171790 -1.730810
H -5.443477 1.641124 -0.019870


