%chk=000097318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097318

0 1
 O    2.188800     -8.5500002E-02 -0.9819000    
 O    1.841500       2.702100      0.7025000    
 O    2.891000     -0.5208000       1.900200    
 O    4.653100      -1.119400      -1.833300    
 O   -4.100400      -2.084300      0.4265000    
 N  -1.5699999E-02 -0.2292000     -0.1208000    
 N   -1.930300       1.236800     -0.4361000    
 N   -1.152600      -2.101600      0.3640000    
 N   -4.057400      0.1664000     -0.1252000    
 N   -3.882400       2.448700     -0.6873000    
 C    1.123300      0.6582000     -0.3633000    
 C    1.679300       1.301200      0.9109000    
 C    3.034100      0.6438000       1.096600    
 C    3.419200      0.2673000     -0.3290000    
 C    4.402700     -0.8816000     -0.4575000    
 C   -1.333100      7.3600002E-02 -0.1644000    
 C   4.5600001E-02  -1.565200      0.2045000    
 C   -2.017200      -1.069300      0.1312000    
 C   -3.466100      -1.069600      0.1644000    
 C   -3.323400       1.228600     -0.4023000    
 H   0.7885000       1.406800      -1.090800    
 H    1.017000       1.176600       1.773600    
 H    3.786800       1.292600       1.555400    
 H    3.804100       1.144400     -0.8648000    
 H    4.004500      -1.810400     -3.6899999E-02
 H    5.351400     -0.6475000      3.3900000E-02
 H    2.416500       2.833200     -7.0299998E-02
 H   0.9828000      -2.093800      0.3142000    
 H    2.600800     -0.2323000       2.782300    
 H   -1.425400       2.089900     -0.6527000    
 H    3.800300      -1.318600      -2.256300    
 H   -3.308300       3.257400     -0.8991000    
 H   -4.888500       2.575800     -0.6953000    


%chk=000097318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097318

0 1
O 1.511517 1.573999 -0.350197
O 3.011822 2.553053 2.031883
O 3.096606 -1.066243 1.095200
O 1.997426 -0.127150 -2.786840
O -3.653735 -2.366945 0.368026
N 0.134294 0.285966 1.162734
N -1.257082 0.829328 -0.840483
N -1.105317 -1.468563 1.959375
N -3.212892 -0.578240 -1.097178
N -2.769367 1.132678 -2.639324
C 1.075134 1.409310 1.052163
C 2.407433 1.240002 1.811575
C 3.272126 0.366586 0.846671
C 2.728007 0.690745 -0.574729
C 2.371773 -0.536575 -1.429985
C -0.946595 0.109105 0.303473
C -0.023587 -0.713840 2.164838
C -1.705756 -0.966024 0.783705
C -2.916515 -1.397337 0.053051
C -2.445160 0.420751 -1.495052
H 0.576368 2.357948 1.321384
H 2.316149 0.798438 2.814560
H 4.331885 0.666222 0.955450
H 3.417029 1.330846 -1.151752
H 1.590908 -1.147665 -0.943780
H 3.270825 -1.161787 -1.547764
H 3.016736 3.056443 1.175447
H 0.683683 -0.835593 2.979254
H 3.657735 -1.346293 1.860327
H -0.583045 1.495889 -1.228031
H 1.063015 0.198710 -2.780430
H -2.368571 2.041526 -2.858514
H -3.612349 0.829011 -3.122155


