%chk=000198491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198491

0 1
O 3.585326 0.390317 1.545056
O 4.201541 1.188404 -1.872949
O 2.919645 2.304084 -0.407952
C 2.965379 -1.124152 -0.325672
C 1.484249 -0.840472 -0.206850
C 3.817297 0.067767 0.186696
C 3.369671 -2.395745 0.422495
C 0.758850 -0.474983 -1.351818
C 0.821153 -0.931878 1.025658
C -1.268074 -0.291345 -0.029756
C -0.607356 -0.204091 -1.265458
C -0.544456 -0.656842 1.115727
C 3.559544 1.316883 -0.662908
C -2.715667 -0.000049 0.063728
C -3.175049 1.019340 0.912644
C -3.634109 -0.741536 -0.696177
C -4.542511 1.293090 0.997589
C -5.000514 -0.464832 -0.603545
C -5.456669 0.551949 0.241669
H 3.224413 -1.263755 -1.411523
H 4.908090 -0.188020 0.173805
H 3.381155 -2.237135 1.510228
H 4.371112 -2.733570 0.133042
H 2.671458 -3.216350 0.215630
H 1.259178 -0.400177 -2.316622
H 1.372127 -1.226737 1.919546
H -1.163242 0.084417 -2.157343
H -1.053083 -0.732340 2.076583
H 2.667519 0.745587 1.673651
H -2.463591 1.600568 1.497454
H -3.280405 -1.535516 -1.351743
H -4.896350 2.086638 1.653961
H -5.711517 -1.043115 -1.191386
H -6.521256 0.766435 0.310790
H 4.078541 1.979863 -2.462651


%chk=000198491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198491

0 1
O 3.772082 0.338269 1.564083
O 3.834572 1.138750 -2.018055
O 3.087576 2.338177 -0.170101
C 3.016907 -1.184627 -0.295636
C 1.523654 -0.883213 -0.190528
C 3.900567 0.039696 0.145135
C 3.447107 -2.428009 0.518558
C 0.742841 -0.718034 -1.363010
C 0.873614 -0.749695 1.065143
C -1.289799 -0.296319 -0.034559
C -0.636138 -0.432665 -1.289069
C -0.503971 -0.461994 1.139266
C 3.565093 1.290523 -0.663299
C -2.748477 0.004182 0.046688
C -3.274353 0.803152 1.099769
C -3.654654 -0.498731 -0.928056
C -4.654334 1.088371 1.176272
C -5.034651 -0.213286 -0.854044
C -5.542915 0.582052 0.199258
H 3.260720 -1.357820 -1.362131
H 4.958610 -0.228932 -0.039448
H 3.347902 -2.241852 1.601070
H 4.504599 -2.682111 0.316735
H 2.823466 -3.298969 0.251984
H 1.222863 -0.812897 -2.345089
H 1.448768 -0.886851 1.986272
H -1.205658 -0.285576 -2.213863
H -0.984712 -0.395171 2.122025
H 3.237846 1.174624 1.653049
H -2.593573 1.229542 1.845307
H -3.279729 -1.142936 -1.731701
H -5.034884 1.713588 1.991909
H -5.714623 -0.619188 -1.611632
H -6.614272 0.803746 0.257922
H 3.580353 1.966907 -2.508625


