%chk=000227448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227448

0 1
O 2.812076 -2.553340 -0.886000
O 3.600487 2.517053 1.151625
O -2.323834 0.656070 1.760462
O -1.964651 -1.737536 -1.437973
C 1.927405 -0.374491 -0.228792
C 2.992977 -1.307070 -0.289447
C 2.194798 0.901954 0.266810
C 3.503039 1.221397 0.688164
C 0.593885 -0.759202 -0.710266
C 4.283775 -0.984829 0.137058
C -3.069415 0.066322 -0.412134
C 4.551920 0.296525 0.627894
C -0.554653 -0.311895 -0.183519
C -1.862445 -0.757093 -0.722646
C -3.292536 0.756674 0.792438
C -4.077452 0.133106 -1.391897
C -4.458016 1.510005 1.020982
C -5.237118 0.880490 -1.187920
C -5.424012 1.568659 0.018064
C 2.148516 -3.528733 -0.040718
C 4.900959 2.981653 1.585367
H 1.417420 1.663314 0.323224
H 0.595925 -1.472613 -1.551474
H 5.073079 -1.733077 0.067821
H 5.556477 0.551785 0.948988
H -0.582572 0.383060 0.660436
H -3.934689 -0.422326 -2.325698
H -4.603273 2.034131 1.959836
H -5.999194 0.924127 -1.963204
H -6.332725 2.151583 0.175846
H 2.764491 -3.740660 0.836507
H 2.084763 -4.399583 -0.704323
H 1.151596 -3.179622 0.243985
H 5.612498 2.953048 0.755121
H 5.247507 2.397692 2.442567
H 4.681419 4.017057 1.877976
H -2.567729 1.142665 2.588442


%chk=000227448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227448

0 1
O 2.806713 -2.432435 -1.217202
O 3.703175 2.338037 1.657726
O -2.191626 1.912114 1.029834
O -1.950290 -1.586210 -1.505911
C 1.937624 -0.380160 -0.136049
C 3.028061 -1.252774 -0.463298
C 2.232181 0.808656 0.582087
C 3.554420 1.128994 0.956206
C 0.582205 -0.727902 -0.576038
C 4.346366 -0.925797 -0.095406
C -3.165924 0.171524 -0.408509
C 4.626331 0.263527 0.612612
C -0.579034 -0.095099 -0.211903
C -1.882862 -0.558471 -0.747069
C -3.317703 1.326544 0.418151
C -4.351648 -0.363192 -0.990936
C -4.595582 1.901342 0.638129
C -5.621534 0.199459 -0.779637
C -5.743817 1.344344 0.044097
C 2.379616 -3.601802 -0.422601
C 5.058836 2.730620 2.046786
H 1.439119 1.517190 0.838612
H 0.499080 -1.571521 -1.274395
H 5.153345 -1.607327 -0.382968
H 5.659702 0.502644 0.879756
H -0.590402 0.753965 0.473509
H -4.218809 -1.248030 -1.622402
H -4.686151 2.789678 1.278235
H -6.506420 -0.242952 -1.247663
H -6.723403 1.800775 0.223227
H 3.154528 -3.873089 0.321139
H 2.248061 -4.420311 -1.146371
H 1.422336 -3.404328 0.097785
H 5.710710 2.863203 1.161127
H 5.512975 1.990310 2.734407
H 4.941023 3.692991 2.566080
H -2.460504 2.701781 1.562454


