%chk=000052085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052085

0 1
 O    1.501600       1.534800     -0.2682000    
 O   0.5906000      -1.778300       1.162200    
 N   -3.570100     -0.7640000     -0.4825000    
 N   0.1065000     -0.9950000     -0.9668000    
 C   -4.514800      0.3463000     -0.3639000    
 C   -3.891800      -1.656800      0.6306000    
 C   -5.822800     -0.3543000     -2.7200000E-02
 C   -5.413400      -1.669000      0.6295000    
 C   -2.184400     -0.3199000     -0.4558000    
 C   -1.269400      -1.410300     -0.9936000    
 C   0.9363000      -1.216800      0.1261000    
 C    2.325200     -0.7032000      7.4999998E-03
 C    2.544300      0.6606000     -0.1864000    
 C    3.408000      -1.578700      8.9299999E-02
 C  -1.9000000E-03   2.933600      0.9709000    
 C    1.453600       2.577600      0.7031000    
 C  -0.7115000       3.396500     -0.2982000    
 C    3.846200       1.148800     -0.2987000    
 C    4.709700      -1.090500     -2.2900000E-02
 C    3.204800      -3.044600      0.2971000    
 C    4.929000      0.2733000     -0.2170000    
 C   -2.175700       3.709800     -3.5200000E-02
 H   -4.241300       1.022600      0.4554000    
 H   -4.593000      0.9270000      -1.288200    
 H   -3.492100      -2.666000      0.4926000    
 H   -3.528300      -1.264700       1.589200    
 H   -6.445500      0.2543000      0.6364000    
 H   -6.400200     -0.5584000     -0.9366000    
 H   -5.796400      -2.511700      4.1900001E-02
 H   -5.814800      -1.757100       1.644200    
 H   -2.068800      0.5562000      -1.107400    
 H   -1.874800      1.3000000E-03  0.5471000    
 H   -1.515700      -1.642900      -2.035600    
 H   -1.362100      -2.333700     -0.4120000    
 H   0.4750000     -0.5122000      -1.781300    
 H  -0.5194000       2.050900       1.365900    
 H  -5.1500000E-02   3.716500       1.736200    
 H    1.921600       2.260300       1.643700    
 H    1.995500       3.449100      0.3187000    
 H  -0.2173000       4.290400     -0.6963000    
 H  -0.6542000       2.625000      -1.074100    
 H    4.032900       2.207200     -0.4586000    
 H    5.564700      -1.758500      3.9700001E-02
 H    4.131700      -3.606500      0.1367000    
 H    2.470200      -3.443500     -0.4104000    
 H    2.871600      -3.243100       1.320700    
 H    5.942500      0.6532000     -0.3061000    
 H   -2.698000       2.837200      0.3659000    
 H   -2.673100       4.009600     -0.9628000    
 H   -2.276500       4.528500      0.6844000    


%chk=000052085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052085

0 1
O 1.448424 1.482774 0.126702
O 0.599060 -2.553273 0.241268
N -3.782906 -0.755338 0.018660
N -0.058009 -0.537608 -0.699069
C -4.738837 -0.036173 0.901863
C -4.111939 -2.195711 0.199680
C -6.080776 -0.778654 0.677780
C -5.663085 -2.219735 0.222828
C -2.370239 -0.398627 0.243666
C -1.452530 -0.960162 -0.871136
C 0.887502 -1.360843 -0.111836
C 2.289700 -0.796961 0.049991
C 2.552920 0.604621 0.211079
C 3.403220 -1.700149 0.090516
C 0.261459 3.582645 0.368126
C 1.637574 2.914234 0.440248
C -0.346436 3.629676 -1.052234
C 3.858099 1.096045 0.440951
C 4.708745 -1.185537 0.303996
C 3.263151 -3.201094 -0.098267
C 4.935967 0.190854 0.488911
C -1.746485 4.278980 -1.071485
H -4.435919 -0.107601 1.979092
H -4.783968 1.035259 0.633900
H -3.688779 -2.806676 -0.615873
H -3.699331 -2.585285 1.165682
H -6.694211 -0.788123 1.595662
H -6.667944 -0.283178 -0.114188
H -6.061626 -2.434247 -0.783310
H -6.038646 -3.001714 0.905640
H -2.293434 0.707641 0.246922
H -1.992559 -0.760377 1.234289
H -1.830558 -0.616165 -1.851737
H -1.461860 -2.062423 -0.854933
H 0.186489 0.452570 -0.804612
H -0.426715 3.055348 1.057594
H 0.368656 4.616873 0.754378
H 2.073526 3.002495 1.455382
H 2.337229 3.363421 -0.295027
H 0.336037 4.190155 -1.722984
H -0.409551 2.603271 -1.462306
H 4.041159 2.165412 0.571049
H 5.551896 -1.884283 0.326298
H 4.260884 -3.660159 -0.213662
H 2.647953 -3.452324 -0.978923
H 2.745307 -3.662013 0.759246
H 5.951128 0.564724 0.661736
H -2.456073 3.709278 -0.441826
H -2.159432 4.313987 -2.095639
H -1.711541 5.315071 -0.684891


