%chk=000194344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194344

0 1
O -3.981349 0.264971 -0.074072
O -0.571551 2.511954 -0.083026
O -3.137808 2.192574 0.508536
O 2.035974 2.653451 -0.173520
O 4.575774 -1.475613 0.009415
C -2.697837 -1.795450 0.260484
C -1.428508 -1.003431 0.173730
C -3.811735 -1.105930 -0.538729
C -1.547319 0.418736 0.112769
C 1.005422 -0.853775 0.084289
C -0.197840 -1.616382 0.164194
C 0.922772 0.580799 -0.001176
C -0.380177 1.184187 0.013743
C -2.868963 1.057825 0.200657
C -5.180576 -1.729406 -0.326914
C 2.155234 1.286957 -0.087887
C 2.269842 -1.486619 0.082808
C 3.432343 -0.728635 -0.001358
C 3.401325 0.687981 -0.090473
C 5.854358 -0.795621 -0.070934
H -2.563481 -2.836592 -0.093462
H -2.993356 -1.885994 1.331103
H -3.546160 -1.032694 -1.617563
H -0.114294 -2.699650 0.218117
H -5.230329 -2.750636 -0.716107
H -5.459087 -1.748005 0.735361
H -5.955647 -1.131571 -0.830758
H 2.336571 -2.570824 0.148978
H 4.311397 1.266535 -0.157226
H 0.267384 3.064747 -0.129866
H 2.903646 3.125517 -0.222707
H 6.555572 -1.641335 -0.038781
H 5.991064 -0.141365 0.794573
H 5.937337 -0.254607 -1.017599


%chk=000194344-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194344

0 1
O -4.043959 0.280965 0.014719
O -0.503485 2.581259 -0.100496
O -3.139866 2.267722 0.667382
O 2.053157 2.690391 -0.211853
O 4.632694 -1.510951 -0.002526
C -2.757868 -1.784259 0.352439
C -1.465977 -0.993873 0.256793
C -3.833901 -1.104731 -0.508761
C -1.573802 0.444141 0.179247
C 0.988794 -0.873864 0.125166
C -0.226366 -1.625209 0.232406
C 0.905660 0.569289 0.018111
C -0.393054 1.216387 0.039762
C -2.912709 1.097684 0.302061
C -5.204439 -1.776574 -0.463998
C 2.145165 1.278081 -0.102401
C 2.259175 -1.520180 0.112146
C 3.440032 -0.777629 -0.003133
C 3.391836 0.647739 -0.114246
C 5.897293 -0.780002 -0.117743
H -2.601101 -2.827691 0.025135
H -3.122788 -1.814048 1.399397
H -3.475610 -1.015265 -1.555532
H -0.166727 -2.717553 0.290744
H -5.152410 -2.790610 -0.900866
H -5.563489 -1.855067 0.577127
H -5.938241 -1.184962 -1.036849
H 2.325068 -2.608767 0.193364
H 4.307650 1.240596 -0.208573
H 0.410880 2.991946 -0.183144
H 2.932702 3.132155 -0.273844
H 6.676747 -1.555031 -0.091046
H 6.039991 -0.082969 0.730843
H 5.958948 -0.227020 -1.075230


