%chk=000197579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197579

0 1
O -0.724004 2.523917 0.561977
O -1.262748 -0.184716 -1.428369
O -2.325974 1.811182 -0.975310
O -0.425441 -0.848326 1.060913
O 2.217347 2.162790 1.298127
C -0.247939 0.679776 -0.917672
C -0.174929 1.487078 1.438617
C 0.230877 0.299405 0.511899
C -0.937446 2.062574 -0.764644
C -2.587534 0.404138 -1.227837
C 1.042870 2.148413 2.123386
C -1.241575 1.153327 2.467006
C -3.277445 -0.226235 -0.042699
C -3.317252 0.296061 -2.552514
C -0.111857 -2.095760 0.376004
C 2.243659 3.194458 0.277179
C -0.620526 -3.199322 1.261650
C 2.511335 2.534952 -1.049379
C -0.981996 -2.957526 2.593467
C -0.720879 -4.496518 0.734010
C 3.242646 1.340103 -1.110166
C 2.041940 3.127783 -2.230636
C -1.441688 -4.006951 3.393908
C -1.177549 -5.541632 1.540419
C -1.538947 -5.299703 2.870340
C 3.487861 0.733141 -2.344122
C 2.294575 2.518547 -3.462979
C 3.012343 1.319604 -3.521769
H 0.565598 0.637678 -1.669343
H 1.332649 0.133560 0.524074
H -0.669921 2.907109 -1.420123
H 1.390807 1.545078 2.985515
H 0.790080 3.169930 2.457629
H -1.695759 2.064285 2.874812
H -0.852556 0.541630 3.287053
H -2.058148 0.570289 1.995986
H -3.641819 -1.234211 -0.267271
H -2.570016 -0.327311 0.809970
H -4.121934 0.385525 0.295872
H -2.811835 0.885260 -3.329476
H -3.353586 -0.743769 -2.899518
H -4.344097 0.672703 -2.471456
H 0.980232 -2.169133 0.225721
H -0.633336 -2.069309 -0.605059
H 3.087174 3.850252 0.572045
H 1.301138 3.773786 0.278156
H -0.903940 -1.945197 2.993462
H -0.445794 -4.691099 -0.300345
H 3.614550 0.894654 -0.185259
H 1.489695 4.065057 -2.194298
H -1.723466 -3.815965 4.427872
H -1.253513 -6.547625 1.131381
H -1.895184 -6.115934 3.494860
H 4.055381 -0.195266 -2.389290
H 1.931527 2.980320 -4.380187
H 3.204850 0.846340 -4.482790


%chk=000197579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197579

0 1
O -0.394655 2.548023 0.377264
O -1.337825 -0.377373 -1.401070
O -2.384518 1.614468 -0.623111
O -0.484309 -0.919559 1.198532
O 2.460379 1.966459 1.279700
C -0.296565 0.513492 -0.904190
C -0.038399 1.495453 1.400928
C 0.203865 0.195446 0.565359
C -0.937688 1.916931 -0.785238
C -2.674294 0.303613 -1.246261
C 1.244748 2.005949 2.094668
C -1.175602 1.399591 2.431681
C -3.559941 -0.504857 -0.299886
C -3.255794 0.491635 -2.652716
C -0.047199 -2.223982 0.681373
C 2.657336 3.106313 0.352202
C -0.648239 -3.334058 1.526251
C 2.679609 2.648415 -1.097304
C -1.429870 -3.061248 2.673837
C -0.415711 -4.683271 1.154909
C 3.345445 1.448555 -1.458248
C 2.071967 3.428370 -2.111766
C -1.967075 -4.122001 3.440164
C -0.949420 -5.742010 1.920921
C -1.728745 -5.464616 3.069232
C 3.397836 1.036219 -2.808396
C 2.128809 3.020914 -3.465439
C 2.790286 1.821696 -3.817509
H 0.541055 0.488054 -1.617936
H 1.293086 -0.008297 0.524530
H -0.787722 2.609456 -1.628712
H 1.462647 1.347859 2.954993
H 1.056415 3.033560 2.468316
H -1.285831 2.372024 2.944789
H -0.966313 0.614281 3.177499
H -2.124986 1.167142 1.927677
H -3.844335 -1.461819 -0.770769
H -3.009345 -0.717805 0.630064
H -4.478058 0.062347 -0.067364
H -2.586230 1.120469 -3.263957
H -3.367313 -0.488297 -3.148230
H -4.245354 0.977158 -2.593145
H 1.065189 -2.275210 0.717940
H -0.365503 -2.321786 -0.375559
H 3.638638 3.543662 0.626160
H 1.870721 3.867746 0.502642
H -1.609819 -2.019891 2.954864
H 0.183894 -4.907346 0.262877
H 3.810252 0.842409 -0.672843
H 1.548574 4.354093 -1.841729
H -2.572040 -3.898503 4.326560
H -0.760539 -6.779649 1.622885
H -2.145205 -6.285194 3.664279
H 3.914645 0.107360 -3.075620
H 1.654961 3.634196 -4.240393
H 2.832588 1.502612 -4.864908


