%chk=000172996.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172996

0 1
 I   0.3799000     -0.6963000      -3.264900    
 I   0.9318000      -2.571400       2.516500    
 I    2.216300       3.296700       1.079900    
 O    1.701000      -1.822600     -0.5352000    
 O   -2.903800       2.189000     -0.5513000    
 O   -5.107500       1.881800     -0.9925000    
 O    5.255600       2.274300      0.4564000    
 N   -5.383500      0.6542000       1.446300    
 C   -3.793400     -0.8287000      0.3117000    
 C   -4.073200      0.6004000      0.8021000    
 C   -2.322900      -1.094700      8.5100003E-02
 C   -1.554700      -1.585500       1.127900    
 C   -1.772800     -0.8425000      -1.160900    
 C   0.3720000      -1.582100     -0.3304000    
 C  -0.4157000      -1.088100      -1.370100    
 C  -0.1973000      -1.830600      0.9187000    
 C   -4.109700       1.600000     -0.3411000    
 C    2.583400     -0.7884000     -0.2839000    
 C    2.092100      0.4279000      0.1587000    
 C    3.938400     -0.9942000     -0.4798000    
 C    2.983100       1.470700      0.4127000    
 C    4.829300      4.8900001E-02 -0.2262000    
 C    4.351600       1.281400      0.2201000    
 H   -4.349700      -1.039300     -0.6121000    
 H   -4.158400      -1.562600       1.043900    
 H   -3.330500      0.9323000       1.536800    
 H   -2.011100      -1.772000       2.096900    
 H   -2.398400     -0.4600000      -1.963400    
 H   -5.393000      3.0600000E-02   2.252900    
 H   -6.096700      0.2965000      0.8110000    
 H    1.038600      0.6252000      0.3233000    
 H    4.311400      -1.953000     -0.8269000    
 H    5.892400     -0.1149000     -0.3810000    
 H   -2.938300       2.842100      -1.282400    
 H    6.150900       1.946600      0.2642000    


%chk=000172996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172996

0 1
I 0.375412 -0.926190 -3.298334
I 0.912754 -2.469113 2.640526
I 2.402382 3.617383 0.734458
O 1.705324 -1.790860 -0.445104
O -2.501142 2.041078 0.429330
O -4.237146 1.860257 -1.104945
O 5.347784 2.474159 0.203590
N -5.676207 0.723739 1.107083
C -3.969273 -0.989453 0.273608
C -4.257121 0.436004 0.907141
C -2.492845 -1.268057 0.065559
C -1.679347 -1.676816 1.152523
C -1.890900 -1.056318 -1.200436
C 0.324004 -1.586988 -0.270661
C -0.500409 -1.218388 -1.364230
C -0.289479 -1.833847 0.984294
C -3.701932 1.508928 -0.029366
C 2.583919 -0.681030 -0.268120
C 2.132555 0.612227 0.074150
C 3.954321 -0.949292 -0.454357
C 3.075595 1.649463 0.225311
C 4.884164 0.095394 -0.298612
C 4.457407 1.405222 0.041387
H -4.522352 -1.043000 -0.682072
H -4.415038 -1.729894 0.964351
H -3.722201 0.505517 1.869570
H -2.131887 -1.868758 2.130576
H -2.510149 -0.761408 -2.053537
H -6.160563 0.139914 1.790221
H -6.201797 0.911374 0.249509
H 1.067663 0.812356 0.218770
H 4.273075 -1.961457 -0.716446
H 5.953161 -0.106157 -0.442519
H -2.153709 2.711634 -0.221887
H 6.281179 2.184078 0.051671


