%chk=000124762.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124762

0 1
 I    5.004400       2.796100      0.6546000    
 O   -7.529900      -1.128900      0.4308000    
 O    3.228000     -0.2439000     -0.8025000    
 O    3.238000     -0.4531000       1.518600    
 C   -4.624600      0.6601000     -0.2258000    
 C   -5.169400     -0.5533000      0.5569000    
 C   -3.105700      0.7640000     -9.8300003E-02
 C   -2.474200     -0.5117000     -0.7377000    
 C   -4.624700      -1.816100     -0.1015000    
 C   -5.510800       1.818100      0.2180000    
 C   -3.083800      -1.808500     -0.1372000    
 C   -2.534300       2.001400     -0.7918000    
 C   -6.651800     -0.2777000      0.3825000    
 C   -6.918000       1.203500      0.1724000    
 C   -4.899800     -0.5578000       2.073400    
 C  -0.9498000     -0.4426000     -0.7177000    
 C   -1.038100       2.107600     -0.5111000    
 C  -0.2901000      0.8044000     -0.6545000    
 C  -0.1666000      -1.603000     -0.8500000    
 C    1.115000      0.8550000     -0.6725000    
 C    1.228200      -1.537600     -0.8751000    
 C    1.869500     -0.3093000     -0.7819000    
 C    3.828500     -0.3252000      0.4566000    
 C    5.308100     -0.2469000      0.3534000    
 C    5.978400      0.9585000      0.4135000    
 C    5.975100      -1.447300      0.1911000    
 C    7.369300      0.9662000      0.3076000    
 C    7.366000      -1.439400      8.5000001E-02
 C    8.063000     -0.2327000      0.1432000    
 H   -4.844400      0.5167000      -1.298100    
 H   -2.828700      0.8218000      0.9622000    
 H   -2.742700     -0.5142000      -1.805700    
 H   -5.007500      -1.901900      -1.127000    
 H   -4.976300      -2.711700      0.4252000    
 H   -5.440200       2.682800     -0.4490000    
 H   -5.260300       2.155800       1.229400    
 H   -2.691100      -1.964300      0.8751000    
 H   -2.771100      -2.680200     -0.7238000    
 H   -3.024200       2.916000     -0.4402000    
 H   -2.708400       1.941000      -1.873900    
 H   -7.377100       1.344000     -0.8104000    
 H   -7.557300       1.603400      0.9623000    
 H   -3.834500     -0.5969000       2.315500    
 H   -5.319200      0.3206000       2.575400    
 H   -5.370800      -1.432400       2.538600    
 H  -0.8927000       2.466300      0.5160000    
 H  -0.6082000       2.858500      -1.185100    
 H  -0.6250000      -2.582900     -0.9437000    
 H    1.620400       1.816100     -0.6036000    
 H    1.805500      -2.453300     -0.9724000    
 H    5.440200      -2.391500      0.1442000    
 H    7.935400       1.893400      0.3495000    
 H    7.906100      -2.372900     -4.3099999E-02
 H    9.145900     -0.2269000      6.0500000E-02


%chk=000124762-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124762

0 1
I 5.046641 -0.813730 -2.930012
O -7.727497 -1.079728 -0.499597
O 3.264281 -0.397414 -0.352649
O 3.813449 1.354274 1.112549
C -4.702250 0.774461 -0.033597
C -5.341651 -0.641932 0.098145
C -3.190844 0.753717 0.251379
C -2.517513 -0.204679 -0.784649
C -4.715101 -1.583156 -0.950372
C -5.656286 1.700273 0.767801
C -3.169024 -1.621155 -0.795283
C -2.517129 2.139107 0.169572
C -6.836322 -0.308002 -0.071285
C -7.062631 1.153069 0.385251
C -5.229744 -1.255949 1.531035
C -0.989262 -0.226634 -0.614673
C -1.047250 2.040630 0.625778
C -0.303699 0.847909 0.025598
C -0.213780 -1.298769 -1.132390
C 1.109497 0.828340 0.146469
C 1.187356 -1.326452 -1.022378
C 1.840630 -0.256915 -0.375929
C 4.149470 0.426768 0.337993
C 5.571669 0.010536 0.105891
C 6.124696 -0.554765 -1.077507
C 6.439507 0.235167 1.214226
C 7.493070 -0.912561 -1.123984
C 7.797962 -0.124572 1.172194
C 8.324724 -0.710586 -0.000709
H -4.818322 1.063548 -1.105730
H -3.015040 0.357830 1.274880
H -2.727519 0.244068 -1.784671
H -4.975002 -1.218297 -1.964722
H -5.132088 -2.603762 -0.863186
H -5.538848 2.764351 0.500146
H -5.476304 1.613258 1.855776
H -2.886996 -2.159273 0.130853
H -2.759772 -2.215033 -1.633733
H -3.051697 2.871654 0.803722
H -2.571762 2.511211 -0.874287
H -7.499451 1.709820 -0.466550
H -7.809301 1.191041 1.198854
H -4.183506 -1.483967 1.793908
H -5.632454 -0.585398 2.311145
H -5.804009 -2.199159 1.566622
H -1.019296 1.950964 1.732013
H -0.502344 2.973001 0.383452
H -0.708172 -2.134199 -1.636549
H 1.624933 1.648222 0.650321
H 1.781695 -2.150631 -1.426750
H 6.006531 0.700517 2.105572
H 7.911397 -1.339404 -2.039645
H 8.438478 0.049679 2.042475
H 9.379580 -1.000093 -0.054882


