%chk=000259639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259639

0 1
O 3.454282 -1.507745 -1.941302
O -3.452887 -1.507952 -1.942830
O 4.706437 3.014787 0.967353
O -4.705068 3.016465 0.962857
O 3.536951 -2.295955 1.466549
O -3.537515 -2.294310 1.465566
C 1.392671 -1.438529 0.886634
C -1.392691 -1.438006 0.886037
C 3.546077 -0.304923 0.172100
C -3.545389 -0.304051 0.169926
C 2.890235 -1.445285 0.900082
C -2.890258 -1.444225 0.898838
C 0.697909 -1.605051 2.092787
C -0.698504 -1.604791 2.092483
C 0.698751 -1.293963 -0.321331
C -0.698198 -1.293703 -0.321634
C 3.858369 -0.400460 -1.198108
C -3.857030 -0.400214 -1.200366
C 3.851132 0.864173 0.859943
C -3.850403 0.865515 0.857015
C 4.466690 1.925087 0.159181
C -4.465281 1.926239 0.155402
C 4.471716 0.652695 -1.884794
C -4.469729 0.652778 -1.887912
C 4.776973 1.833929 -1.204145
C -4.774941 1.834452 -1.208039
C 4.304412 -2.675628 -1.779910
C -4.303148 -2.675660 -1.780951
C 5.343136 4.170645 0.371414
C -5.341163 4.172180 0.365996
H 1.248086 -1.746646 3.024351
H -1.249144 -1.746177 3.023809
H 1.251276 -1.192619 -1.262365
H -1.250269 -1.192174 -1.262905
H 3.630256 0.982286 1.920597
H -3.629983 0.984097 1.917709
H 4.694034 0.543463 -2.946101
H -4.691549 0.543033 -2.949270
H 5.246652 2.656313 -1.735427
H -5.244102 2.656716 -1.739969
H 5.299447 -2.463482 -2.178682
H 3.781965 -3.425361 -2.385040
H 4.352169 -2.977522 -0.727442
H -3.780682 -3.425746 -2.385625
H -4.351077 -2.977001 -0.728333
H -5.298110 -2.463626 -2.179963
H 6.340438 3.910442 0.005693
H 5.405949 4.854875 1.228554
H 4.711706 4.589277 -0.417288
H -4.709230 4.590223 -0.422616
H -5.404209 4.856878 1.222744
H -6.338357 3.912059 -0.000076


%chk=000259639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259639

0 1
O 5.175203 -1.800864 -1.600939
O -5.172297 -1.798106 -1.607287
O 3.763248 3.213053 0.568669
O -3.763425 3.214026 0.568414
O 3.508727 -2.657601 0.707526
O -3.509264 -2.656477 0.702943
C 1.422746 -1.537521 0.290049
C -1.422423 -1.536904 0.288404
C 3.727222 -0.414532 -0.152324
C -3.726164 -0.412909 -0.155847
C 2.926001 -1.607366 0.295888
C -2.925730 -1.606218 0.292505
C 0.700786 -2.464224 1.093633
C -0.701784 -2.463928 1.092805
C 0.705786 -0.626549 -0.530189
C -0.704100 -0.626260 -0.531026
C 4.879226 -0.566975 -0.985487
C -4.877127 -0.564676 -0.990550
C 3.391668 0.874738 0.325089
C -3.391355 0.875954 0.323205
C 4.193163 1.997835 0.012302
C -4.192519 1.999281 0.010383
C 5.657471 0.563396 -1.310701
C -5.655079 0.565917 -1.315704
C 5.333939 1.845341 -0.813904
C -5.332235 1.847452 -0.817407
C 6.173587 -2.642200 -0.902531
C -6.170806 -2.640376 -0.910199
C 4.557761 4.407841 0.274490
C -4.557628 4.409019 0.274237
H 1.269558 -3.175825 1.700720
H -1.271571 -3.175288 1.699221
H 1.250929 0.063181 -1.181876
H -1.248159 0.063656 -1.183410
H 2.519782 1.023958 0.969417
H -2.520403 1.024637 0.968913
H 6.512533 0.429497 -1.981703
H -6.509324 0.432539 -1.987850
H 5.960348 2.701250 -1.081556
H -5.958382 2.703553 -1.085063
H 7.124514 -2.089459 -0.765911
H 6.334986 -3.508309 -1.562284
H 5.766647 -2.967553 0.070468
H -6.331465 -3.505999 -1.570768
H -5.764340 -2.966390 0.062781
H -7.122023 -2.088102 -0.773710
H 5.595484 4.303614 0.647324
H 4.053091 5.226170 0.808304
H 4.572875 4.624535 -0.811619
H -4.571299 4.626686 -0.811697
H -4.053735 5.226904 0.809464
H -5.595842 4.304379 0.645584


