%chk=000030303.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030303

0 1
 O   0.1634000     -0.2930000      -1.551400    
 O    1.848600       1.726900      -1.352500    
 N   -2.748300      0.5307000      0.5485000    
 C   -3.738200      0.7786000     -0.5026000    
 C   -2.974200     -0.7832000       1.155500    
 C   -1.397300      0.6265000      1.6000001E-02
 C   -3.571100       2.199200      -1.032600    
 C   -3.587800     -0.2460000      -1.623500    
 C   -1.940900      -1.020200       2.252400    
 C   -4.393000     -0.8729000       1.710300    
 C   -1.162800     -0.4349000      -1.047100    
 C    1.147800     -0.9803000     -0.9062000    
 C    2.219000     -0.3470000     -0.3173000    
 C    3.013900       1.903700      0.7484000    
 C    2.320400       1.140800     -0.3790000    
 C    1.070900      -2.371300     -0.8363000    
 C    3.217900      -1.032500      0.3384000    
 C    2.341500       1.589800       2.085700    
 C    2.962400       3.401800      0.4641000    
 C    2.067300      -3.093000     -0.1790000    
 C    3.140700      -2.423600      0.4083000    
 H   -4.755000      0.7529000     -9.7700000E-02
 H   -2.885600      -1.638800      0.4829000    
 H  -0.6444000      0.5560000      0.8086000    
 H   -1.178800       1.620800     -0.3911000    
 H   -3.527400       2.929600     -0.2167000    
 H   -4.437200       2.463700      -1.651600    
 H   -2.690000       2.332100      -1.668500    
 H   -4.635500     -0.4251000      -1.930700    
 H   -3.218800      0.1647000      -2.572400    
 H   -3.313800      -1.281100      -1.416400    
 H  -0.9446000      -1.244200       1.858400    
 H   -2.221300      -1.888200       2.861100    
 H   -1.866900     -0.1652000       2.934500    
 H   -4.491600      -1.742200       2.371600    
 H   -4.654800      9.6000005E-03   2.305400    
 H   -5.145700      -1.009500      0.9273000    
 H   -1.596500     -0.2396000      -2.006700    
 H   -1.327800      -1.467300     -0.7395000    
 H    4.070600       1.617800      0.7763000    
 H   0.2567000      -2.915000      -1.307700    
 H    4.077900     -0.5487000      0.7869000    
 H    2.460600      0.5450000       2.383900    
 H    2.772100       2.202700       2.885200    
 H    1.266500       1.798500       2.044600    
 H    1.930200       3.765600      0.4069000    
 H    3.453100       3.639800     -0.4862000    
 H    3.474700       3.964300       1.252000    
 H    2.010900      -4.176500     -0.1303000    
 H    3.919600      -2.986400      0.9146000    


%chk=000030303-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030303

0 1
O 0.364639 0.142442 -0.427333
O 2.519953 1.358887 -1.893073
N -3.303325 -0.323760 0.622727
C -4.141714 0.754642 0.009644
C -3.700613 -1.735198 0.319805
C -1.847680 -0.078323 0.712586
C -3.864825 2.133790 0.649315
C -4.086684 0.856410 -1.545757
C -3.027964 -2.716951 1.310612
C -5.232377 -1.936297 0.397846
C -1.000419 -0.414385 -0.551670
C 1.387892 -0.606914 0.149717
C 2.698133 -0.032690 0.080978
C 3.809705 2.323484 -0.051623
C 2.973891 1.216995 -0.724685
C 1.188717 -1.841940 0.816737
C 3.765386 -0.709851 0.722029
C 2.913007 3.021731 1.014826
C 4.358535 3.329780 -1.080679
C 2.278133 -2.507282 1.419128
C 3.572228 -1.944092 1.380404
H -5.182092 0.498845 0.281214
H -3.386568 -2.032984 -0.714411
H -1.435134 -0.632379 1.575791
H -1.682997 0.988866 0.934204
H -3.849268 2.053156 1.750711
H -4.664979 2.840371 0.362313
H -2.908139 2.573210 0.311872
H -4.898610 1.512277 -1.913494
H -3.130997 1.290503 -1.892473
H -4.212627 -0.133214 -2.023224
H -1.926285 -2.718703 1.235946
H -3.370123 -3.747306 1.105571
H -3.302185 -2.452512 2.348102
H -5.463991 -3.011189 0.289366
H -5.617670 -1.596183 1.376986
H -5.776446 -1.402872 -0.400779
H -1.404656 0.092427 -1.441148
H -0.952225 -1.501400 -0.757524
H 4.652214 1.850092 0.492215
H 0.190809 -2.284760 0.882440
H 4.773455 -0.283514 0.669992
H 2.526197 2.301731 1.757899
H 3.496256 3.792802 1.550037
H 2.051794 3.514719 0.528369
H 3.530674 3.798949 -1.639652
H 5.011262 2.832560 -1.819965
H 4.939691 4.121926 -0.574037
H 2.108094 -3.463253 1.927130
H 4.417329 -2.457245 1.849814


