%chk=000200608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200608

0 1
I 4.690937 0.393054 -1.155859
O -1.229729 -0.394606 0.675537
O -2.419742 2.594516 -0.594471
O -4.658272 1.338313 -1.899945
C 0.412328 -2.591008 0.687503
C 0.914646 -1.229583 0.254041
C 0.056419 -0.100944 0.252998
C 1.214173 -3.106352 1.889463
C 0.465375 -3.579260 -0.484463
C 2.230596 -1.030207 -0.162609
C 0.486157 1.162542 -0.150902
C -2.160631 0.687251 0.899766
C 1.818381 1.343287 -0.567789
C -2.717572 1.200811 -0.437372
C 2.671964 0.235304 -0.561060
C -4.232201 0.981626 -0.583800
C 2.275697 2.692690 -1.002479
H -0.660698 -2.489972 1.006395
H 2.263369 -3.291220 1.635413
H 0.798966 -4.047195 2.265752
H 1.200098 -2.382976 2.712595
H -0.097958 -3.200435 -1.345213
H 0.034810 -4.546550 -0.205271
H 1.491162 -3.762215 -0.821761
H 2.919079 -1.880231 -0.173068
H -2.915404 0.175220 1.528236
H -1.679641 1.492907 1.483367
H -0.197429 2.012730 -0.170713
H -2.165705 0.744060 -1.300822
H -4.816520 1.567792 0.148003
H -4.508390 -0.089153 -0.507464
H 2.658680 2.671809 -2.036732
H 1.478790 3.446742 -0.970567
H 3.100267 3.060186 -0.369791
H -2.883014 3.139533 0.073792
H -4.254488 2.200735 -2.161208


%chk=000200608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200608

0 1
I 4.917709 0.232884 -0.990379
O -1.180100 -0.072821 0.827581
O -3.470683 2.667549 -0.426617
O -4.212481 0.602181 -2.289343
C 0.335212 -2.419800 0.962554
C 0.952867 -1.104786 0.479894
C 0.157848 0.075721 0.391496
C 1.368230 -3.429875 1.510744
C -0.505087 -3.065645 -0.177211
C 2.300790 -1.000310 0.072863
C 0.695926 1.290088 -0.087914
C -2.054320 1.106540 0.865857
C 2.052043 1.391840 -0.500043
C -2.708942 1.394471 -0.500879
C 2.834888 0.216867 -0.404265
C -3.637603 0.270827 -0.987712
C 2.588804 2.712873 -1.012580
H -0.367277 -2.164009 1.779609
H 2.032224 -3.810903 0.712078
H 0.844846 -4.302722 1.941567
H 1.998737 -2.983345 2.301090
H -1.285209 -2.372511 -0.536903
H -1.000934 -3.986149 0.183212
H 0.141208 -3.334353 -1.033432
H 2.943952 -1.881356 0.135646
H -2.829026 0.844757 1.612027
H -1.510554 2.001204 1.223599
H 0.078718 2.190944 -0.159259
H -1.948802 1.598031 -1.272598
H -4.434906 0.094182 -0.226971
H -3.074734 -0.666304 -1.127482
H 2.984793 2.612458 -2.040141
H 1.801714 3.485703 -1.020930
H 3.423918 3.077791 -0.385853
H -4.161068 2.590612 0.284219
H -4.488201 1.556567 -2.254024


