%chk=000031110.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031110

0 1
 I  -0.5652000      -2.154000      -1.387800    
 I    3.143000       1.443900       1.910600    
 I   -2.301400       3.384000      0.4363000    
 O   -2.342400      0.4625000     -0.9428000    
 O   -4.050900      -2.392300      0.1862000    
 O   -3.730000      -1.727900      -1.958100    
 O    2.971600      -3.098600       1.168500    
 N    2.057000      -1.138400      0.2270000    
 C   -4.550600      0.8491000     -4.6000000E-02
 C   -5.925500      0.2376000      0.2595000    
 C   -3.373000     -0.1251000     -0.1657000    
 C   -7.081800       1.233800      0.2039000    
 C    1.072300     -0.1413000      0.2641000    
 C   -1.131600      0.6535000     -0.3265000    
 C    2.973700      -1.180700     -0.9505000    
 C  -0.1559000     -0.3427000     -0.3659000    
 C   -8.409800      0.5599000      0.5171000    
 C   -3.742200      -1.470700     -0.7612000    
 C    4.104600     -0.2021000     -0.8176000    
 C    1.324600       1.056000      0.9339000    
 C  -0.8791000       1.850800      0.3432000    
 C   0.3490000       2.052000      0.9733000    
 C    2.163900      -2.167600       1.219900    
 C    3.963300       1.097400      -1.304600    
 C    5.296400     -0.5922000     -0.2066000    
 C    1.254000      -2.087600       2.424100    
 C    5.013800       2.006700      -1.181100    
 C    6.346900      0.3173000     -8.2999997E-02
 C    6.205400       1.616700     -0.5702000    
 H   -4.627300       1.442300     -0.9661000    
 H   -4.361700       1.542100      0.7743000    
 H   -6.141000     -0.5563000     -0.4654000    
 H   -5.892600     -0.2357000       1.248700    
 H   -3.004800     -0.3312000      0.8509000    
 H   -6.907900       2.042800      0.9226000    
 H   -7.133100       1.689000     -0.7918000    
 H    3.369900      -2.196200      -1.068400    
 H    2.403000     -0.9692000      -1.862600    
 H   -8.627200     -0.2339000     -0.2046000    
 H   -9.223900       1.290100      0.4744000    
 H   -8.399800      0.1205000       1.519600    
 H   0.5448000       2.986400       1.495200    
 H    3.044300       1.412700      -1.792000    
 H    5.419100      -1.601100      0.1780000    
 H    1.364000      -2.996400       3.024100    
 H    1.520600      -1.231400       3.046300    
 H   0.2081000      -2.014000       2.118400    
 H    4.904400       3.017800      -1.562100    
 H    7.274600      1.4000000E-02  0.3933000    
 H   -4.269500      -3.263300     -0.2085000    
 H    7.023200       2.324700     -0.4738000    


%chk=000031110-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031110

0 1
I -0.737171 -2.320004 -0.923885
I 2.405717 2.391740 1.602206
I -2.325221 3.516541 -2.059086
O -2.333068 0.284534 -2.117258
O -4.612685 -0.856274 -3.681213
O -5.388335 1.085703 -2.668089
O 2.303040 -2.097665 2.473520
N 1.595299 -0.743499 0.721879
C -4.024657 0.278974 -0.193926
C -5.279230 -0.429041 0.372696
C -3.626519 -0.278881 -1.563241
C -5.657479 0.091545 1.778720
C 0.681597 0.212629 0.167834
C -1.317638 0.697553 -1.251124
C 2.659083 -1.312961 -0.172757
C -0.421699 -0.217536 -0.631644
C -6.912558 -0.601129 2.350445
C -4.636045 0.090635 -2.658204
C 3.954229 -0.513936 -0.213414
C 0.849875 1.615864 0.350815
C -1.073791 2.088784 -1.078980
C -0.008064 2.543958 -0.277976
C 1.472742 -1.250961 2.029730
C 4.240722 0.338792 -1.307862
C 4.904129 -0.637535 0.833719
C 0.294132 -0.748316 2.853536
C 5.448568 1.071482 -1.352830
C 6.110789 0.093908 0.790558
C 6.385878 0.952337 -0.301228
H -4.216181 1.364216 -0.279696
H -3.182204 0.134151 0.510037
H -6.136612 -0.271476 -0.311094
H -5.102909 -1.523847 0.424416
H -3.512063 -1.377134 -1.531577
H -4.802097 -0.060052 2.468483
H -5.827527 1.185640 1.725836
H 2.849250 -2.330418 0.210920
H 2.227042 -1.393431 -1.185749
H -7.788333 -0.438655 1.694635
H -7.165117 -0.211299 3.353213
H -6.758448 -1.692899 2.441516
H 0.153421 3.615355 -0.143721
H 3.516862 0.430354 -2.128142
H 4.681673 -1.300941 1.677234
H 0.310606 -1.269428 3.821665
H 0.362354 0.339782 3.030694
H -0.665648 -0.953313 2.345785
H 5.658815 1.728849 -2.204065
H 6.839206 -0.008053 1.603151
H -5.230785 -0.578441 -4.411476
H 7.324360 1.517500 -0.334510


