%chk=000135435.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135435

0 1
 O   -4.333200      -3.967300      0.6142000    
 O    6.423200     -0.6548000      0.6568000    
 O    4.986600      -1.696600     -0.7858000    
 N   0.2964000       2.731800      0.8738000    
 N   -3.802300       1.548500      0.1463000    
 N  -0.9400000      0.9770000     -0.9681000    
 N    2.455100     -0.4442000     -0.8104000    
 N   0.5507000      -1.070800      -2.071300    
 N    4.341500      0.1742000      0.4710000    
 C  -0.9594000       3.141600      0.2726000    
 C   -1.588000       2.015800     -0.5370000    
 C   -3.044100       2.147600     -0.9093000    
 C    1.016200       1.688400      0.3190000    
 C   0.4068000      0.8362000     -0.6059000    
 C  -0.7208000       4.360100     -0.6136000    
 C    2.341900       1.450500      0.6847000    
 C   -3.937500      0.1515000      0.2645000    
 C    1.165800     -0.2016000      -1.134400    
 C   -4.446600       2.416600       1.142300    
 C    3.009900      0.3882000      9.5500000E-02
 C   -3.715000     -0.6688000     -0.8426000    
 C   -4.293400     -0.4154000       1.489200    
 C   -3.848000      -2.052300     -0.7254000    
 C   -4.426500      -1.799000       1.606500    
 C   -4.203600      -2.617400      0.4991000    
 C    5.216000     -0.8116000      2.9500000E-02
 C   -4.091000      -4.745300     -0.5571000    
 C    7.440700      -1.600700      0.3080000    
 C    8.698400      -1.282200       1.088000    
 H   -1.648800       3.415900       1.077800    
 H   -3.232200       1.723400      -1.899400    
 H   -3.288200       3.209900      -1.014000    
 H   0.7545000       3.352800       1.530300    
 H   -1.658000       4.759300      -1.013000    
 H  -7.8699999E-02   4.112800      -1.466900    
 H  -0.2300000       5.161700     -5.0400000E-02
 H    2.833800       2.092800       1.410300    
 H   -4.452200       3.461700      0.8140000    
 H   -5.492300       2.129800       1.299600    
 H   -3.906100       2.380800       2.094100    
 H   -3.453400     -0.2855000      -1.822400    
 H   -4.463700      0.1813000       2.380100    
 H    1.120300      -1.815900      -2.452400    
 H  -0.2114000     -0.7097000      -2.631800    
 H   -3.663800      -2.629300      -1.625300    
 H   -4.701100      -2.234300       2.563600    
 H    4.722400      0.8225000       1.156200    
 H   -4.813000      -4.516700      -1.348300    
 H   -3.055200      -4.645800     -0.8990000    
 H   -4.237900      -5.795400     -0.2839000    
 H    7.645300      -1.536700     -0.7664000    
 H    7.098500      -2.611900      0.5545000    
 H    8.504900      -1.324000       2.164900    
 H    9.042600     -0.2667000      0.8661000    
 H    9.498400      -1.987200      0.8452000    


%chk=000135435-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135435

0 1
O -5.266682 -3.635095 1.372930
O 6.734018 -0.723526 0.452474
O 5.823932 -0.752387 -1.723093
N 0.096208 1.590760 1.167268
N -3.932632 1.650488 -0.254016
N -0.562189 1.172865 -1.525862
N 3.021318 0.152622 -1.543060
N 1.459259 0.302337 -3.280383
N 4.604302 -0.051396 0.220587
C -1.101303 2.294543 0.651708
C -1.451186 1.726489 -0.731204
C -2.879926 1.899296 -1.249584
C 1.097067 1.142375 0.317020
C 0.755576 0.983978 -1.062128
C -0.885149 3.835166 0.573519
C 2.396713 0.783668 0.752600
C -4.236994 0.324283 0.131258
C 1.756475 0.480222 -1.950531
C -4.838380 2.738247 0.131455
C 3.307586 0.299978 -0.226436
C -3.446525 -0.780174 -0.303872
C -5.356290 0.041816 0.975753
C -3.756392 -2.102115 0.084424
C -5.661952 -1.274687 1.362598
C -4.867059 -2.358564 0.921968
C 5.697016 -0.525304 -0.504652
C -4.465638 -4.773901 0.929021
C 8.012350 -1.231020 -0.111814
C 8.977207 -1.392743 1.059386
H -1.947986 2.088673 1.333163
H -2.985055 1.240503 -2.135794
H -3.003927 2.938268 -1.613292
H 0.281666 1.634146 2.169252
H -1.801713 4.346276 0.225516
H -0.062376 4.076435 -0.122504
H -0.629231 4.240213 1.570294
H 2.690482 0.884579 1.803250
H -4.455641 3.692126 -0.267019
H -5.867879 2.592211 -0.260792
H -4.911059 2.841072 1.233439
H -2.571896 -0.621743 -0.940248
H -6.001509 0.849400 1.333042
H 2.170862 -0.090127 -3.891511
H 0.510712 0.490987 -3.598523
H -3.118070 -2.915272 -0.275232
H -6.521970 -1.482295 2.007274
H 4.785727 0.047376 1.221293
H -4.478229 -4.874031 -0.174851
H -3.416263 -4.692556 1.276734
H -4.938171 -5.656869 1.384938
H 8.380102 -0.506756 -0.861793
H 7.815505 -2.187808 -0.629382
H 8.582965 -2.111301 1.798494
H 9.146544 -0.427487 1.566989
H 9.950179 -1.768641 0.693534


