%chk=000195142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195142

0 1
O -5.395438 -1.771881 0.053515
O 5.440276 -0.660936 0.125287
C -3.060355 -1.106631 -0.361571
C -2.355789 -2.355131 0.189588
C -2.352949 0.112018 0.233433
C -0.845690 -2.321181 -0.082300
C -0.903637 0.200435 0.057015
C -0.181298 -0.968139 0.009505
C -4.500875 -0.983788 0.207046
C -3.122763 -1.067513 -1.884138
C -4.586274 0.316230 1.000892
C -3.184446 0.859983 0.981882
C -0.239439 1.491728 -0.045963
C 1.273699 -0.935754 0.007155
C 1.173992 1.549882 -0.033513
C 1.948309 0.314351 0.020996
C -0.970076 2.700804 -0.202400
C 2.047305 -2.125833 0.020574
C 3.358469 0.344934 0.065513
C 1.817107 2.814244 -0.102922
C 3.428598 -2.103523 0.056597
C -0.323303 3.919029 -0.280062
C 4.077245 -0.847787 0.082662
C 1.086030 3.980411 -0.215046
C 6.288172 -1.834430 0.148034
H -2.800730 -3.269012 -0.250159
H -2.533344 -2.426130 1.282159
H -0.654251 -2.712920 -1.107491
H -0.353021 -3.033121 0.614611
H -3.583716 -0.141139 -2.247491
H -2.117144 -1.117044 -2.321226
H -3.704849 -1.909192 -2.280679
H -5.316184 1.011258 0.543853
H -4.952882 0.134257 2.029022
H -2.940168 1.740946 1.552462
H -2.056141 2.664047 -0.284157
H 1.541157 -3.093851 0.008833
H 3.896093 1.293224 0.086054
H 2.908514 2.855042 -0.072032
H 3.995317 -3.028150 0.066943
H -0.892964 4.839901 -0.397196
H 1.584674 4.946187 -0.263999
H 7.289579 -1.384420 0.181372
H 6.153118 -2.419648 -0.765838
H 6.095674 -2.425957 1.047475


%chk=000195142-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195142

0 1
O -5.445342 -1.820803 -0.091005
O 5.521590 -0.691902 0.073744
C -3.073681 -1.119633 -0.351373
C -2.375349 -2.331873 0.326546
C -2.401690 0.136315 0.204183
C -0.856443 -2.321867 0.041428
C -0.929588 0.243563 0.089063
C -0.185164 -0.946054 0.046873
C -4.537834 -0.983809 0.124491
C -3.038808 -1.226429 -1.899420
C -4.699571 0.347724 0.879359
C -3.296219 0.917606 0.887606
C -0.245741 1.540518 0.011786
C 1.270491 -0.903513 0.008454
C 1.194642 1.602875 0.031776
C 1.970677 0.359000 0.052409
C -0.973459 2.763950 -0.137806
C 2.050003 -2.100891 -0.042915
C 3.390988 0.359733 0.079054
C 1.828790 2.881567 -0.013151
C 3.449990 -2.087519 -0.030737
C -0.326376 4.004292 -0.197936
C 4.125841 -0.836794 0.041373
C 1.090237 4.067189 -0.111196
C 6.332199 -1.911361 0.032946
H -2.826862 -3.278227 -0.024366
H -2.544964 -2.271280 1.419058
H -0.660275 -2.796646 -0.942789
H -0.365877 -2.975324 0.788220
H -3.500667 -0.339566 -2.369089
H -2.000781 -1.296861 -2.267302
H -3.598428 -2.121703 -2.224177
H -5.445150 0.986701 0.362259
H -5.109748 0.169228 1.893926
H -3.041275 1.812753 1.460587
H -2.059098 2.724735 -0.245304
H 1.547071 -3.069844 -0.096577
H 3.961822 1.289699 0.124529
H 2.920134 2.947575 0.010845
H 4.003249 -3.030052 -0.074189
H -0.911504 4.922094 -0.322136
H 1.604290 5.033705 -0.146403
H 7.374647 -1.562953 0.070247
H 6.162800 -2.477868 -0.903205
H 6.126033 -2.562252 0.904607


