%chk=000219792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219792

0 1
O -0.505090 0.570170 2.180495
O -3.721929 0.264468 0.619848
O -1.310603 -1.022193 0.782448
O -5.515823 0.293064 -2.347876
O -3.050299 1.340283 -1.259712
C 3.913923 0.159051 -0.030653
C 5.365910 -0.313650 0.121784
C 3.074462 -0.204856 1.201572
C 6.204754 0.050803 -1.110336
C 1.625952 0.270600 1.044527
C 7.658085 -0.420730 -0.960656
C 0.793943 -0.100153 2.267058
C 8.497439 -0.059896 -2.184251
C -2.701562 0.925658 1.419544
C -1.471521 0.008502 1.384495
C -3.298888 1.031687 2.806231
C -4.789575 -0.432294 -1.368802
C -3.751735 0.512625 -0.737106
C -4.061208 -1.632981 -1.947287
H 3.889518 1.253941 -0.194383
H 3.465206 -0.290312 -0.938182
H 5.390824 -1.408849 0.282476
H 5.815624 0.134831 1.028550
H 3.525895 0.243670 2.107953
H 3.097255 -1.301362 1.358807
H 5.757359 -0.397351 -2.018412
H 6.181085 1.145373 -1.273983
H 1.170138 -0.174522 0.134989
H 1.591772 1.367350 0.886646
H 7.683676 -1.516402 -0.800337
H 8.108103 0.028174 -0.053618
H 0.629070 -1.187420 2.360551
H 1.185138 0.322014 3.209990
H 8.100679 -0.520495 -3.096175
H 9.532572 -0.400128 -2.068837
H 8.524735 1.023060 -2.350257
H -2.451672 1.915193 0.963124
H -3.702147 0.066895 3.148569
H -2.545431 1.363023 3.536567
H -4.132634 1.747351 2.825649
H -5.578602 -0.716114 -0.628219
H -3.310831 -1.352033 -2.698073
H -3.533866 -2.202186 -1.165383
H -4.768590 -2.317398 -2.435672
H -4.923412 0.608939 -3.072163


%chk=000219792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219792

0 1
O -0.609696 0.684296 2.248513
O -3.856484 0.311648 0.586016
O -1.432648 -1.032976 0.890916
O -4.502247 0.153396 -3.006824
O -2.635167 1.141886 -1.223788
C 3.914749 0.306390 0.003518
C 5.306413 -0.365073 0.002627
C 3.007298 -0.171913 1.159606
C 6.217619 0.126721 -1.144447
C 1.605431 0.481381 1.119548
C 7.605911 -0.553015 -1.158242
C 0.736837 0.022926 2.296394
C 8.509647 -0.053657 -2.306203
C -2.867248 0.903170 1.523046
C -1.583428 0.053822 1.486535
C -3.527575 0.921454 2.906009
C -4.547006 -0.350517 -1.636698
C -3.581201 0.455509 -0.768119
C -4.187283 -1.854028 -1.563445
H 4.038213 1.407607 0.066271
H 3.410043 0.104719 -0.963965
H 5.182473 -1.465627 -0.074202
H 5.807545 -0.175670 0.975269
H 3.500311 0.054409 2.128309
H 2.902960 -1.275470 1.109111
H 5.713731 -0.053694 -2.117173
H 6.350152 1.226054 -1.063299
H 1.100455 0.217215 0.171348
H 1.703618 1.583726 1.145024
H 7.472739 -1.651092 -1.241699
H 8.108814 -0.374471 -0.185626
H 0.588971 -1.072086 2.284265
H 1.149636 0.343545 3.266937
H 8.044946 -0.250531 -3.290866
H 9.496042 -0.552861 -2.292564
H 8.681546 1.036713 -2.229613
H -2.610122 1.921918 1.180002
H -3.801451 -0.099445 3.221349
H -2.829900 1.350842 3.643660
H -4.441790 1.537066 2.875237
H -5.578557 -0.194291 -1.276723
H -3.135846 -2.020935 -1.854996
H -4.330930 -2.242724 -0.540707
H -4.841613 -2.402950 -2.260741
H -3.598211 0.542014 -3.158070


