%chk=000030794.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030794

0 1
 I   -1.148900      -1.937400       1.090200    
 I   -3.379500       3.420200     -0.8731000    
 I    2.469300       2.862100      0.1565000    
 O   -5.795700      -1.015000      0.1894000    
 O    1.463100     -0.1102000      0.9157000    
 O   -5.017400      -2.431000      -1.386600    
 O    2.042400      -3.056000     -0.9701000    
 O    2.011900      -2.831400       1.284700    
 N   -3.307400      0.2880000      9.8800004E-02
 C   -4.180000      0.4111000       1.261700    
 C   -3.826000     -0.3709000      -1.097800    
 C   -2.026100      0.8380000      0.1149000    
 C   -5.621300      0.2614000      0.8170000    
 C  -0.8902000      8.4100001E-02  0.5120000    
 C   -4.909300      -1.372100     -0.7737000    
 C   -1.794200       2.186200     -0.2636000    
 C   0.3888000      0.6407000      0.5296000    
 C    2.144800     -0.8318000     -0.1057000    
 C  -0.5154000       2.742700     -0.2459000    
 C   0.5761000       1.969900      0.1506000    
 C    3.574900     -0.3464000     -0.1881000    
 C    4.207600      9.2600003E-02  0.9625000    
 C    4.221800     -0.3516000      -1.412300    
 C    2.050200      -2.321000      0.1726000    
 C    5.526500      0.5402000      0.8868000    
 C    5.540800      9.5799997E-02  -1.487900    
 C    6.193100      0.5416000     -0.3383000    
 H   -4.047300       1.376900       1.761700    
 H   -3.932100     -0.3754000       1.982900    
 H   -3.020100     -0.9096000      -1.610100    
 H   -4.240000      0.3606000      -1.799500    
 H   -6.288400      0.2985000       1.683900    
 H   -5.933600       1.046700      0.1195000    
 H    1.648100     -0.6486000      -1.070600    
 H  -0.3679000       3.779500     -0.5413000    
 H    3.718400      7.7500001E-02   1.932300    
 H    3.722800     -0.6977000      -2.312700    
 H    6.036300      0.8823000       1.782700    
 H    6.060100      9.6799999E-02  -2.441800    
 H    7.220400      0.8889000     -0.3970000    
 H    1.995100      -4.018200     -0.7853000    


%chk=000030794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030794

0 1
I -1.328834 -1.983785 1.016049
I -3.023437 3.724200 -0.543781
I 2.487492 2.789552 1.889839
O -5.538868 -0.969401 -0.801201
O 1.450173 -0.284783 1.625320
O -4.361469 -2.207552 -2.326260
O 2.392393 -3.593975 0.825954
O 3.143448 -2.324799 2.626205
N -3.128370 0.465002 -0.166506
C -4.271590 0.483020 0.759714
C -3.262195 -0.181285 -1.485033
C -1.862062 0.953087 0.246216
C -5.562510 0.316224 -0.041121
C -0.830723 0.085395 0.726464
C -4.396604 -1.214824 -1.578439
C -1.563339 2.347257 0.227012
C 0.454795 0.562243 1.117993
C 2.110839 -1.226174 0.645472
C -0.337636 2.859063 0.695480
C 0.666008 1.969490 1.133507
C 3.252339 -0.565251 -0.109758
C 4.454272 -0.205679 0.552363
C 3.109689 -0.306389 -1.494980
C 2.601380 -2.390591 1.507840
C 5.499143 0.406969 -0.169461
C 4.156591 0.310481 -2.215600
C 5.353745 0.666521 -1.553544
H -4.309476 1.447871 1.303097
H -4.203808 -0.331361 1.513927
H -2.334249 -0.716228 -1.752689
H -3.446258 0.569501 -2.289240
H -6.440313 0.233269 0.616232
H -5.704927 1.148821 -0.754963
H 1.357446 -1.609528 -0.063079
H -0.152576 3.934743 0.701922
H 4.555672 -0.396813 1.626097
H 2.184269 -0.591568 -2.010660
H 6.426638 0.683214 0.343965
H 4.040310 0.508788 -3.286527
H 6.168292 1.141624 -2.111536
H 2.766008 -4.348347 1.358310


