%chk=000117244.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117244

0 1
 O   0.6073000      0.2905000      0.5666000    
 O   -2.010400      -1.718600     -0.4295000    
 O    1.801100       1.344100      -1.075000    
 O   -1.918900      -3.855700      0.4216000    
 N    2.836000      3.6300000E-02  0.5678000    
 N   -2.199100      -3.476600      -1.828900    
 C   -1.834800      0.3661000      0.8469000    
 C  -0.5966000      0.8218000      2.3200000E-02
 C   -3.186600      0.8616000      0.2899000    
 C   -1.841900      -1.185800      0.8798000    
 C   -1.651000      0.8842000       2.295800    
 C   -3.173400       1.647200     -0.8317000    
 C   -4.329800      0.4903000      0.9463000    
 C   -4.395000       2.095100      -1.334700    
 C   -5.551300      0.9380000      0.4431000    
 C   -5.583900       1.740500     -0.6972000    
 C    1.770000      0.6278000     -8.1799999E-02
 C   -2.032200      -3.083100     -0.5242000    
 C    4.208600      0.1175000      0.2402000    
 C    5.134400     -0.5544000       1.022800    
 C    4.602100      0.8666000     -0.8574000    
 C    6.488900     -0.4748000      0.6995000    
 C    5.956700      0.9460000      -1.180700    
 C    6.900000      0.2753000     -0.4023000    
 H  -0.5205000       1.917100      3.2000002E-02
 H  -0.6760000      0.4804000      -1.016800    
 H   -2.643100      -1.568400       1.524000    
 H  -0.8986000      -1.562700       1.296200    
 H   -2.440200      0.5317000       2.968800    
 H  -0.7007000      0.5508000       2.727700    
 H   -1.663400       1.980300       2.322700    
 H   -2.281600       1.954200      -1.362400    
 H   -4.331600     -0.1285000       1.836500    
 H   -4.421200       2.720700      -2.222300    
 H   -6.477200      0.6630000      0.9399000    
 H   -6.534900       2.089500      -1.088600    
 H    2.607500     -0.5278000       1.382800    
 H   -2.238400      -4.457600      -2.084300    
 H   -2.288600      -2.798100      -2.577800    
 H    4.825000      -1.141600       1.883000    
 H    3.932000       1.411900      -1.505900    
 H    7.223600     -0.9969000       1.305400    
 H    6.278300       1.529800      -2.038500    
 H    7.954600      0.3372000     -0.6540000    


%chk=000117244-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117244

0 1
O 0.594896 0.302657 0.569364
O -1.947307 -1.718728 -0.439137
O 1.793415 1.397625 -1.138192
O -1.858714 -3.909270 0.428802
N 2.837755 0.054889 0.519891
N -2.108111 -3.477488 -1.868573
C -1.830705 0.349426 0.863800
C -0.660367 0.824644 -0.025819
C -3.179553 0.853572 0.295031
C -1.819105 -1.197227 0.941325
C -1.633337 0.892595 2.310677
C -3.273662 1.653274 -0.872824
C -4.384918 0.524021 0.971205
C -4.525970 2.109386 -1.346060
C -5.636468 0.973792 0.501578
C -5.714193 1.772837 -0.662739
C 1.770936 0.658483 -0.123285
C -1.962925 -3.122531 -0.545104
C 4.218869 0.141739 0.188463
C 5.130339 -0.582834 1.002611
C 4.703708 0.911156 -0.902087
C 6.512591 -0.539401 0.730988
C 6.091331 0.943214 -1.159361
C 7.003860 0.225031 -0.353063
H -0.599410 1.927212 -0.060460
H -0.745720 0.430593 -1.052608
H -2.657683 -1.579532 1.549489
H -0.872203 -1.560106 1.376401
H -2.426184 0.529686 2.987776
H -0.656145 0.577343 2.714765
H -1.672238 1.996264 2.311227
H -2.376249 1.931848 -1.433688
H -4.353638 -0.093098 1.877196
H -4.569432 2.727412 -2.250156
H -6.549454 0.702090 1.043430
H -6.684502 2.125848 -1.029183
H 2.584713 -0.523887 1.323697
H -2.134814 -4.464254 -2.107629
H -2.203706 -2.764154 -2.587098
H 4.756948 -1.179284 1.845054
H 4.000756 1.465791 -1.526843
H 7.204301 -1.103390 1.366389
H 6.459767 1.538689 -2.002304
H 8.077727 0.258967 -0.564446


