%chk=000181041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181041

0 1
I 0.414204 -3.097124 0.794914
O -1.650851 -0.091344 -1.637631
O 1.314614 -0.460899 -2.046887
C -2.199526 0.511640 0.652809
C -2.760383 0.221096 -0.756046
C -1.493581 -0.756612 1.168121
C -3.339340 0.977567 1.569785
C -3.407403 1.463742 -1.374320
C -4.022170 2.220078 0.976565
C -0.404493 -1.147100 0.182425
C -4.524247 1.973982 -0.454785
C -0.902424 -1.274080 -1.257423
C 0.202939 -1.319520 -2.335069
C 2.502649 -1.097531 -1.512058
C 2.910852 -0.348605 -0.270755
C 2.643328 1.023851 -0.161802
C 3.578485 -1.015754 0.765961
C 3.042411 1.724750 0.978552
C 3.979322 -0.308163 1.902871
C 3.712821 1.060578 2.011162
H -1.443101 1.331780 0.566529
H -3.455218 -0.645074 -0.752139
H -1.061940 -0.571169 2.172365
H -2.230172 -1.573084 1.308537
H -2.947712 1.207216 2.578095
H -4.080310 0.167794 1.708344
H -3.799638 1.227036 -2.380670
H -2.637302 2.244326 -1.534483
H 0.456725 -0.439210 0.231336
H -3.312947 3.070836 0.979538
H -4.867351 2.525330 1.621489
H -5.357677 1.245118 -0.438413
H -4.946526 2.909422 -0.868557
H -1.589616 -2.146142 -1.374923
H -0.195534 -0.861197 -3.269480
H 0.528120 -2.354280 -2.528408
H 3.259911 -0.969791 -2.312426
H 2.340301 -2.174144 -1.327738
H 2.112360 1.529313 -0.971734
H 3.780213 -2.082956 0.693616
H 2.833174 2.789605 1.061279
H 4.496996 -0.826535 2.707876
H 4.026035 1.607655 2.897679


%chk=000181041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181041

0 1
I -0.112421 -3.808224 0.527905
O -1.243341 0.009631 -1.558642
O 1.405574 -0.886190 -2.354910
C -2.092094 0.277393 0.754593
C -2.409857 0.423598 -0.748466
C -1.710180 -1.197512 1.048372
C -3.288691 0.769513 1.603325
C -2.748157 1.869299 -1.129589
C -3.658615 2.228685 1.240204
C -0.551847 -1.626224 0.131664
C -3.934883 2.383973 -0.276246
C -0.885598 -1.413168 -1.363675
C 0.205916 -1.722454 -2.407642
C 2.471103 -1.290926 -1.428015
C 2.678953 -0.272134 -0.309451
C 2.066037 1.003728 -0.366398
C 3.523979 -0.587235 0.785327
C 2.299388 1.951035 0.657410
C 3.755516 0.359700 1.808191
C 3.144834 1.634680 1.746191
H -1.213396 0.922478 0.967550
H -3.271069 -0.245123 -0.995333
H -1.421559 -1.320108 2.107790
H -2.591384 -1.846704 0.869276
H -3.043156 0.688623 2.680197
H -4.163905 0.109456 1.424770
H -2.982437 1.925484 -2.208450
H -1.852400 2.497417 -0.955314
H 0.388805 -1.124800 0.407861
H -2.823077 2.898447 1.529649
H -4.543853 2.550523 1.821725
H -4.851318 1.816313 -0.539932
H -4.137283 3.443851 -0.520863
H -1.767962 -2.049315 -1.616866
H -0.227488 -1.507177 -3.399667
H 0.467343 -2.799153 -2.352992
H 3.395444 -1.358978 -2.036457
H 2.271436 -2.297386 -1.005075
H 1.403421 1.226490 -1.208664
H 3.996927 -1.576381 0.843286
H 1.824032 2.937467 0.602222
H 4.407095 0.103190 2.651355
H 3.326166 2.370617 2.537887


