%chk=000027230.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027230

0 1
 O    2.076800      2.6400000E-02 -0.7433000    
 O    3.841600       2.126800     -0.2977000    
 N    7.372300      -1.015200      0.6032000    
 C   -1.406900     -0.6174000      0.5081000    
 C   -2.781700     -0.1833000     -2.9000000E-03
 C  -0.2885000     -8.8699996E-02 -0.3872000    
 C   -3.902200     -0.7420000      0.8768000    
 C    1.085000     -0.4810000      0.1386000    
 C   -5.260100     -0.2914000      0.4025000    
 C   -5.948300      -1.060500     -0.5241000    
 C   -5.800500      0.8849000      0.9006000    
 C    3.383800     -0.2203000     -0.4119000    
 C   -7.205100     -0.6438000     -0.9627000    
 C   -7.057300       1.301700      0.4621000    
 C    4.261100      0.8353000     -0.1887000    
 C    3.817500      -1.537100     -0.3010000    
 C   -7.759600      0.5374000     -0.4695000    
 C    5.588300      0.5711000      0.1494000    
 C    6.030100     -0.7472000      0.2622000    
 C    5.144700      -1.801200      3.7000000E-02
 C    4.809000       3.145400     -5.1500000E-02
 H   -1.264600     -0.2498000       1.531600    
 H   -1.357600      -1.712400      0.5478000    
 H   -2.833700      0.9127000     -2.4700001E-02
 H   -2.915100     -0.5261000      -1.036800    
 H  -0.4097000     -0.4682000      -1.409500    
 H  -0.3473000       1.004300     -0.4639000    
 H   -3.756000     -0.4282000       1.918600    
 H   -3.861600      -1.838800      0.8883000    
 H    1.238600     -6.2300000E-02   1.140800    
 H    1.144700      -1.573400      0.2015000    
 H   -5.524200      -1.980900     -0.9154000    
 H   -5.260700       1.488200       1.625000    
 H   -7.751800      -1.238500      -1.688600    
 H   -7.488900       2.221600      0.8456000    
 H    3.147900      -2.370800     -0.4906000    
 H   -8.738100      0.8620000     -0.8113000    
 H    6.322100       1.348700      0.3356000    
 H    5.478100      -2.832700      0.1178000    
 H    8.015700     -0.2526000      0.7683000    
 H    7.691800      -1.971100      0.6864000    
 H    5.623500       3.114300     -0.7832000    
 H    5.173200       3.115600      0.9811000    
 H    4.303000       4.107900     -0.1813000    


%chk=000027230-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027230

0 1
O 2.118156 -0.305426 -0.954193
O 3.500669 1.546251 0.685119
N 7.656236 -1.030630 0.030666
C -1.359514 -0.092555 0.617543
C -2.773924 -0.082570 -0.003257
C -0.245291 -0.218091 -0.446623
C -3.898943 0.063375 1.059510
C 1.153493 -0.232956 0.174439
C -5.287756 0.082958 0.438084
C -6.022318 -1.117382 0.254394
C -5.861771 1.298643 -0.017271
C 3.480993 -0.475584 -0.622404
C -7.291320 -1.105979 -0.368059
C -7.130076 1.316688 -0.640148
C 4.223453 0.452190 0.169952
C 4.167555 -1.567039 -1.190985
C -7.850084 0.112403 -0.819015
C 5.605561 0.258140 0.391195
C 6.284553 -0.851059 -0.189264
C 5.549610 -1.763298 -0.993343
C 4.246001 2.563368 1.426231
H -1.209979 0.838704 1.203403
H -1.283133 -0.931595 1.341107
H -2.854513 0.748573 -0.732427
H -2.936505 -1.016502 -0.577815
H -0.388314 -1.141950 -1.039930
H -0.304417 0.629829 -1.156245
H -3.723926 0.997079 1.630148
H -3.815369 -0.773827 1.780550
H 1.346724 0.682129 0.764350
H 1.293734 -1.119663 0.828708
H -5.596777 -2.066136 0.605610
H -5.310280 2.237325 0.122074
H -7.844717 -2.043311 -0.497934
H -7.557887 2.266347 -0.981923
H 3.587571 -2.259786 -1.809589
H -8.834924 0.123851 -1.299610
H 6.172378 0.967003 1.004108
H 6.054713 -2.618893 -1.456064
H 8.186948 -0.377367 0.597703
H 8.146632 -1.815321 -0.386429
H 5.040793 3.014518 0.800612
H 4.693122 2.146825 2.350538
H 3.502143 3.330118 1.689584


