%chk=000105000.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105000

0 1
 O    2.637600       1.602800     -0.8884000    
 O  -3.3900000E-02   4.203700       1.470900    
 N   0.9021000     -0.9975000     -0.6953000    
 N   0.7540000       1.704800      0.4794000    
 N   -3.670200     -0.1486000      0.1443000    
 C    1.863700     -0.3981000      0.2419000    
 C    3.254700      -1.011100      0.1348000    
 C  -6.0199998E-02   2.612600     -0.3109000    
 C  -0.9054000       1.789700      -1.311700    
 C   -1.502800     -0.5823000     -0.2314000    
 C  -0.3356000      -1.409000     -0.2041000    
 C   -1.810000      0.7634000     -0.6814000    
 C    1.862200       1.086000     -8.9900002E-02
 C   -2.696300      -1.108800      0.2803000    
 C    4.229800     -0.3023000       1.073500    
 C    3.209500      -2.507400      0.4406000    
 C   -3.153700      0.9715000     -0.4344000    
 C  -0.9004000       3.508400      0.5927000    
 C    1.282300      -1.484300      -2.009200    
 C  -0.4587000      -2.708800      0.3402000    
 C   -2.805200      -2.395400      0.8180000    
 C   -1.663700      -3.189300      0.8402000    
 H    1.513400     -0.5213000       1.277300    
 H    3.662900     -0.8902000     -0.8758000    
 H   0.6292000       3.245500     -0.8844000    
 H  -0.2434000       1.278200      -2.021600    
 H   -1.508200       2.480200      -1.916200    
 H   0.2979000       1.255600       1.268300    
 H    3.884700     -0.3494000       2.112300    
 H    5.217200     -0.7755000       1.031200    
 H    4.370900      0.7501000      0.8113000    
 H    2.753500      -2.697900       1.418500    
 H    4.224900      -2.919200      0.4702000    
 H    2.667500      -3.086100     -0.3069000    
 H   -3.783200       1.831100     -0.6193000    
 H   -1.597400       2.928300       1.205600    
 H   -1.466700       4.236000      2.7000001E-03
 H   0.4603000      -1.335000      -2.720100    
 H    1.518300      -2.551900      -2.005000    
 H    2.135200     -0.9329000      -2.415900    
 H   0.4061000      -3.367400      0.3720000    
 H   -4.632900     -0.2606000      0.4305000    
 H   -3.748500      -2.767000       1.205000    
 H   -1.715300      -4.194500       1.249500    
 H  -0.5891000       4.771900       2.031600    


%chk=000105000-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105000

0 1
O 2.508167 1.500627 -0.983812
O -0.220961 4.182298 1.549629
N 0.944153 -1.175768 -0.553001
N 0.754416 1.578219 0.551952
N -3.764801 -0.123852 -0.187742
C 1.984925 -0.546055 0.311562
C 3.413607 -1.093822 0.093832
C -0.037441 2.546614 -0.229264
C -0.781155 1.776068 -1.385504
C -1.515257 -0.580901 -0.263642
C -0.367131 -1.420649 -0.016378
C -1.754170 0.725869 -0.890899
C 1.847782 0.959680 -0.037104
C -2.801478 -1.062148 0.194893
C 4.404494 -0.365867 1.032407
C 3.461422 -2.623019 0.301115
C -3.132846 0.944882 -0.829332
C -1.011481 3.323505 0.659212
C 1.130344 -1.164414 -2.016553
C -0.553009 -2.589382 0.759751
C -2.979614 -2.246611 0.942306
C -1.826185 -2.993121 1.246663
H 1.685421 -0.729710 1.362637
H 3.706327 -0.856528 -0.948119
H 0.669073 3.256754 -0.693890
H 0.003909 1.342172 -2.028371
H -1.322133 2.516796 -2.006558
H 0.250762 1.058417 1.275365
H 4.140598 -0.530857 2.095760
H 5.431437 -0.745375 0.879481
H 4.411193 0.720246 0.837022
H 3.232292 -2.887390 1.352545
H 4.468901 -3.015199 0.069556
H 2.729600 -3.139721 -0.345394
H -3.700850 1.799729 -1.193365
H -1.651482 2.621679 1.237949
H -1.673277 3.930035 0.003470
H 0.150555 -1.285734 -2.508379
H 1.778698 -2.003548 -2.344028
H 1.592904 -0.221990 -2.372668
H 0.324301 -3.220415 0.938272
H -4.764455 -0.208590 -0.019269
H -3.971286 -2.568659 1.278693
H -1.912178 -3.916304 1.830153
H -0.826988 4.660043 2.169946


