%chk=000196817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196817

0 1
O -2.791292 0.621465 -1.108199
O -1.554941 -1.191312 -0.289085
O -5.743619 -2.042543 0.017327
O -3.821329 -0.774338 1.658621
O -4.037142 -2.136076 -2.486024
O -2.606950 3.062111 0.863644
O 1.899529 1.909492 -1.402968
O 3.423315 3.375992 -1.998389
O 4.525948 -2.249693 1.685351
O 5.950624 -1.509977 0.119001
C -4.891645 -1.058655 -0.563255
C -4.486182 -0.113192 0.593577
C -3.643992 -1.734917 -1.171022
C -3.617846 1.028134 0.021126
C -2.482682 -0.720485 -1.323570
C -2.696301 1.654515 1.080716
C -0.296149 -0.661706 -0.182487
C 0.164723 0.430878 -0.903273
C 0.514609 -1.342843 0.767137
C 2.340361 0.195663 0.262729
C 1.491748 0.842207 -0.672283
C 1.807513 -0.911344 0.974350
C 3.682711 0.710468 0.424218
C 4.612039 0.084399 1.429518
C 4.097691 1.772521 -0.313059
C 3.248199 2.442047 -1.271179
C 5.130850 -1.245277 0.957990
H -5.448485 -0.507604 -1.359591
H -5.401337 0.281186 1.105575
H -3.334338 -2.620006 -0.566069
H -4.247382 1.819915 -0.458844
H -1.991064 -0.721465 -2.320829
H -1.691131 1.197810 1.069215
H -3.129946 1.576363 2.100282
H -6.149871 -2.590467 -0.694664
H -2.989616 -1.213947 1.349792
H -3.512246 -2.911253 -2.784279
H -2.062855 3.250700 0.066617
H -0.453935 0.982551 -1.611850
H 0.099742 -2.192182 1.306316
H 2.442641 -1.438041 1.697284
H 4.096786 -0.020311 2.416362
H 5.487628 0.748542 1.634534
H 5.108071 2.183847 -0.238727
H 4.841746 -3.159272 1.428463


%chk=000196817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196817

0 1
O -2.884371 0.726336 -0.987629
O -1.601611 -1.178002 -0.188733
O -5.943077 -2.049793 -0.272365
O -3.828828 -1.060642 1.640608
O -4.113626 -1.970817 -2.640256
O -2.350749 2.925617 0.798753
O 1.970473 1.818824 -1.571824
O 3.633779 3.252320 -2.287072
O 4.863187 -2.200867 1.991658
O 5.856451 -1.550335 -0.008044
C -4.962300 -1.029578 -0.612498
C -4.559217 -0.255028 0.659084
C -3.713169 -1.641445 -1.266485
C -3.788546 1.007010 0.201105
C -2.525303 -0.636686 -1.241483
C -2.944698 1.682230 1.290784
C -0.296056 -0.653130 -0.091982
C 0.197773 0.382489 -0.910067
C 0.524025 -1.258859 0.898767
C 2.391084 0.210758 0.251048
C 1.535145 0.793797 -0.731458
C 1.845795 -0.828490 1.062408
C 3.753661 0.718097 0.362425
C 4.705006 0.137547 1.398676
C 4.180162 1.728253 -0.476082
C 3.334630 2.344187 -1.492704
C 5.209117 -1.253989 1.013879
H -5.387679 -0.305041 -1.341790
H -5.474778 0.051998 1.191139
H -3.421710 -2.554496 -0.711762
H -4.496157 1.747959 -0.212839
H -1.994722 -0.618795 -2.210273
H -2.174504 0.987551 1.678286
H -3.597670 1.974925 2.130002
H -6.208399 -2.503224 -1.113486
H -2.934403 -1.303062 1.272220
H -3.513282 -2.662971 -3.015438
H -1.810121 2.710636 -0.004811
H -0.409060 0.892720 -1.660852
H 0.107417 -2.060738 1.514388
H 2.469488 -1.308612 1.822433
H 4.231280 0.082175 2.392224
H 5.593841 0.787082 1.479520
H 5.198798 2.121065 -0.420798
H 5.217124 -3.095074 1.731421


