%chk=000216439.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216439

0 1
O -0.884544 -0.227330 0.519916
O -2.164577 -0.552500 -1.417859
C 2.849250 -0.180227 -0.275175
C 1.471623 -0.748153 0.171275
C 0.326515 0.157993 -0.307174
C 3.047727 1.211368 0.388316
C 0.586304 1.644798 -0.117021
C 1.831162 2.098911 0.197899
C 3.995401 -1.154219 0.002780
C -0.595534 2.568362 -0.335501
C 4.277814 -1.530655 1.448609
C -3.128050 -1.017297 0.829272
C -4.525417 -0.363256 0.599115
C -2.056560 -0.586691 -0.161972
C 4.725749 -1.677377 -1.018693
C -4.438195 1.181602 0.597244
C -5.227640 -0.891344 -0.674288
H 2.808239 -0.016811 -1.371887
H 1.428581 -0.805050 1.275558
H 1.327080 -1.770722 -0.222479
H 0.053260 -0.045710 -1.362043
H 3.946123 1.702705 -0.033281
H 3.246817 1.088481 1.474106
H 1.984645 3.182550 0.302917
H -1.337228 2.465343 0.479405
H -1.122301 2.321827 -1.277731
H -0.278799 3.624549 -0.379102
H 4.577269 -0.649442 2.047911
H 3.381508 -1.958949 1.936785
H 5.089422 -2.274898 1.514507
H -3.233237 -2.117599 0.743927
H -2.763099 -0.796869 1.846970
H -5.136742 -0.667330 1.474805
H 5.543807 -2.385439 -0.840180
H 4.525362 -1.410632 -2.063653
H -3.850292 1.540174 -0.268299
H -5.446991 1.627392 0.523887
H -3.962690 1.562105 1.520972
H -4.653890 -0.623811 -1.577863
H -5.324499 -1.993346 -0.649629
H -6.243573 -0.462705 -0.760545


%chk=000216439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216439

0 1
O -0.895071 -0.219280 0.536694
O -2.145109 -0.601261 -1.401816
C 2.832233 -0.207513 -0.299703
C 1.465882 -0.734330 0.217807
C 0.319625 0.154829 -0.285705
C 3.069053 1.221104 0.272088
C 0.582252 1.644773 -0.120950
C 1.840225 2.100919 0.133334
C 3.989314 -1.159464 0.008786
C -0.605387 2.567633 -0.303818
C 4.179369 -1.600706 1.451208
C -3.132905 -1.031742 0.835086
C -4.522648 -0.361336 0.601823
C -2.053984 -0.608048 -0.150183
C 4.819250 -1.589629 -0.979249
C -4.419195 1.182308 0.616002
C -5.220537 -0.869779 -0.681846
H 2.763153 -0.109406 -1.402785
H 1.452592 -0.724305 1.324170
H 1.299595 -1.776971 -0.110100
H 0.058960 -0.069896 -1.339722
H 3.927874 1.688360 -0.248250
H 3.361041 1.158995 1.342036
H 1.996539 3.185508 0.225296
H -1.357713 2.411178 0.491873
H -1.115285 2.370084 -1.267233
H -0.297838 3.627227 -0.284478
H 4.284182 -0.735478 2.133948
H 3.309179 -2.183974 1.809034
H 5.077845 -2.231352 1.560202
H -3.250256 -2.130216 0.744036
H -2.770620 -0.817998 1.855055
H -5.143126 -0.668378 1.469946
H 5.661598 -2.261229 -0.774929
H 4.677106 -1.282161 -2.022568
H -3.844249 1.544674 -0.256751
H -5.424213 1.639852 0.567913
H -3.921261 1.547061 1.534258
H -4.626976 -0.617550 -1.576985
H -5.347444 -1.968763 -0.659319
H -6.223248 -0.413940 -0.782405


