%chk=000126163.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126163

0 1
 I   -2.011900      -2.936500     -0.9278000    
 O   -8.285100      0.1349000      0.2741000    
 O   -6.602200      -1.015700       1.275900    
 C    3.141900       2.771000      0.4901000    
 C    2.717800       2.803800     -0.9926000    
 C    4.642200       2.431400      0.6499000    
 C    1.226800       3.041900      -1.264400    
 C    5.112600       1.094400      6.2399998E-02
 C   0.2577000       2.041000     -0.6279000    
 C   -1.215600       2.354900     -0.8984000    
 C    4.356400     -0.1132000      0.6172000    
 C    2.866600       4.107000       1.191900    
 C   -2.128600       1.315000     -0.2442000    
 C    4.886600      -1.454700      9.6699998E-02
 C   -3.615000       1.563500     -0.5098000    
 C    4.163800      -2.694200      0.6371000    
 C   -4.589000      0.6160000      0.2024000    
 C    2.702900      -2.751900      0.2670000    
 C   -6.056600      0.8729000     -0.1346000    
 C    1.748100      -2.175400       1.104700    
 C    2.306500      -3.381500     -0.9129000    
 C   -6.979000     -0.1031000      0.5530000    
 C   0.3969000      -2.228500      0.7625000    
 C   0.9554000      -3.434700      -1.255100    
 C   6.0000003E-04  -2.858200     -0.4174000    
 H    2.565200       2.002700       1.016100    
 H    3.294600       3.575600      -1.518000    
 H    2.977000       1.850100      -1.466200    
 H    4.891300       2.436300       1.719500    
 H    5.242000       3.230600      0.1949000    
 H    1.075400       3.028400      -2.351500    
 H   0.9601000       4.054800     -0.9397000    
 H    5.034900       1.112800      -1.030400    
 H    6.180500      0.9809000      0.2883000    
 H   0.4929000       1.035000     -0.9971000    
 H   0.4088000       2.023200      0.4572000    
 H   -1.457100       3.352600     -0.5131000    
 H   -1.394000       2.372300      -1.980100    
 H    4.408100     -0.1058000       1.712600    
 H    3.302700     -1.6899999E-02  0.3401000    
 H    1.795800       4.331200       1.211100    
 H    3.379400       4.933000      0.6876000    
 H    3.209600       4.079500       2.231900    
 H   -1.862700      0.3200000     -0.6128000    
 H   -1.954400       1.310500      0.8388000    
 H    4.833100      -1.454900     -0.9997000    
 H    5.949300      -1.538100      0.3566000    
 H   -3.858700       2.592400     -0.2154000    
 H   -3.791000       1.502200      -1.591200    
 H    4.265500      -2.733100       1.729400    
 H    4.666900      -3.595200      0.2633000    
 H   -4.442000      0.7008000       1.286600    
 H   -4.333800     -0.4171000     -6.2199999E-02
 H   -6.209300      0.7796000      -1.215400    
 H   -6.334200       1.885300      0.1781000    
 H    2.042900      -1.683600       2.027900    
 H    3.041400      -3.832200      -1.574500    
 H  -0.3307000      -1.771600       1.428600    
 H   0.6682000      -3.929500      -2.179400    
 H   -8.877700     -0.5064000      0.7213000    


%chk=000126163-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126163

0 1
I -2.003312 -3.025945 -1.731563
O -8.245604 -0.167526 0.143775
O -6.684512 -0.835760 1.725750
C 3.281788 2.884838 0.424831
C 2.738960 2.854624 -1.030718
C 4.774982 2.454012 0.489379
C 1.228463 3.160298 -1.190958
C 5.098529 1.026260 -0.019735
C 0.302067 2.162115 -0.456953
C -1.188688 2.337030 -0.824342
C 4.304395 -0.094380 0.691101
C 3.117906 4.282974 1.067314
C -2.121211 1.364963 -0.067635
C 4.797733 -1.507941 0.312815
C -3.605607 1.499375 -0.474412
C 3.941762 -2.656662 0.925137
C -4.532558 0.549148 0.314680
C 2.545609 -2.751558 0.325566
C -6.004585 0.678328 -0.121117
C 1.405738 -2.257948 1.008753
C 2.354723 -3.322836 -0.959934
C -6.949475 -0.183069 0.692838
C 0.113084 -2.324670 0.436227
C 1.074045 -3.401709 -1.551037
C -0.039482 -2.898123 -0.843431
H 2.695123 2.163402 1.030278
H 3.324349 3.580928 -1.634598
H 2.931795 1.855272 -1.470897
H 5.112195 2.535179 1.544445
H 5.378706 3.187339 -0.086822
H 0.981727 3.139632 -2.273003
H 1.007091 4.190823 -0.847325
H 4.919902 0.959258 -1.111798
H 6.184244 0.843370 0.122453
H 0.616565 1.124845 -0.700248
H 0.418997 2.273229 0.640622
H -1.499086 3.383055 -0.616876
H -1.312608 2.186516 -1.917361
H 4.385799 0.038711 1.791041
H 3.228595 -0.004855 0.443690
H 2.058277 4.589079 1.133114
H 3.655099 5.050736 0.476325
H 3.532960 4.296961 2.092920
H -1.787396 0.322978 -0.253802
H -2.022615 1.537123 1.024966
H 4.807364 -1.612612 -0.791670
H 5.847728 -1.629405 0.648858
H -3.933660 2.549532 -0.321929
H -3.702106 1.295723 -1.561627
H 3.873620 -2.504537 2.019867
H 4.474866 -3.614697 0.767114
H -4.452310 0.756335 1.398967
H -4.198601 -0.497432 0.175533
H -6.133940 0.417184 -1.188954
H -6.350405 1.728123 -0.028357
H 1.520402 -1.817328 2.006229
H 3.216993 -3.720609 -1.509295
H -0.752184 -1.942105 0.985671
H 0.950162 -3.852465 -2.540073
H -8.842599 -0.729626 0.709212


