%chk=000241765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241765

0 1
O -5.018017 0.385291 0.694044
O 0.080649 -2.136156 -0.716263
O 5.832547 -0.037971 -0.718482
O -0.845175 -3.754858 0.560780
C -2.568088 0.344429 0.241856
C -1.719022 1.494949 -0.383697
C -0.295247 1.486770 0.184118
C 0.405456 0.145204 -0.173641
C -4.008873 0.713427 -0.278609
C -1.962011 -0.973403 -0.251048
C 1.811288 0.072362 0.515246
C -0.483037 -1.075462 0.152732
C -2.577334 2.754171 -0.169392
C -4.031629 2.265968 -0.324760
C 0.539648 2.650832 -0.371120
C -2.588360 0.363413 1.777070
C 2.624747 1.312397 0.132113
C 1.942059 2.648832 0.241519
C 2.534103 -1.212726 0.030278
C -4.399167 0.065939 -1.604078
C 1.691113 0.051081 2.049379
C 4.033253 -1.217159 0.314185
C 3.918161 1.254897 -0.224619
C 4.705621 0.007566 -0.270945
C -0.184451 -3.448817 -0.404571
C 0.465685 -4.331091 -1.411907
H -1.649612 1.319938 -1.487701
H -0.346987 1.581829 1.299212
H 0.579966 0.128664 -1.281784
H -2.041050 -1.062238 -1.352570
H -2.509933 -1.844741 0.160491
H -0.372836 -1.411479 1.206430
H -2.335531 3.544115 -0.897208
H -2.412066 3.187730 0.831793
H -4.675931 2.641686 0.493702
H -4.484448 2.633224 -1.258412
H 0.040973 3.615483 -0.156640
H 0.608104 2.587040 -1.474688
H -1.584431 0.454930 2.204093
H -3.188840 1.201590 2.157061
H -3.040184 -0.549011 2.181500
H 1.890305 2.927122 1.317354
H 2.551792 3.446532 -0.232660
H 2.363193 -1.341177 -1.059121
H 2.069768 -2.100104 0.503143
H -5.420081 0.359732 -1.884922
H -3.733978 0.369363 -2.419211
H -4.389897 -1.027445 -1.551351
H 2.678284 0.075487 2.525800
H 1.121514 0.908619 2.426512
H 1.185673 -0.856946 2.399821
H -5.083317 -0.577370 0.826821
H 4.504350 -2.135580 -0.090911
H 4.233641 -1.244977 1.404883
H 4.484266 2.144866 -0.506031
H 1.014388 -3.763683 -2.180447
H -0.283043 -4.955079 -1.925509
H 1.177531 -5.018803 -0.927838


%chk=000241765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241765

0 1
O -5.181048 0.187159 0.438466
O 0.016405 -2.250984 -0.664581
O 5.924180 0.120515 -0.969618
O -0.539896 -3.739232 1.047983
C -2.633531 0.341739 0.226714
C -1.765826 1.521204 -0.303772
C -0.321072 1.489990 0.231597
C 0.391787 0.141628 -0.151413
C -4.054615 0.725823 -0.361226
C -1.990030 -0.958208 -0.294312
C 1.858162 0.056068 0.476472
C -0.510744 -1.091691 0.146979
C -2.630150 2.778818 -0.026012
C -4.104457 2.279432 -0.182597
C 0.503226 2.679493 -0.304691
C -2.728876 0.308241 1.776259
C 2.629848 1.333640 0.076145
C 1.935013 2.667417 0.273750
C 2.612256 -1.200105 -0.068292
C -4.266249 0.302449 -1.830873
C 1.809848 -0.017304 2.037628
C 4.142488 -1.159296 0.128824
C 3.915914 1.309752 -0.402567
C 4.752921 0.097171 -0.480250
C -0.089729 -3.525418 -0.102506
C 0.409545 -4.572604 -1.074498
H -1.696147 1.399969 -1.408863
H -0.363048 1.583730 1.336136
H 0.526585 0.164174 -1.256358
H -2.004244 -0.972417 -1.400640
H -2.530233 -1.858178 0.060953
H -0.461163 -1.389706 1.208831
H -2.398433 3.607145 -0.718229
H -2.447021 3.153896 0.999149
H -4.712392 2.501953 0.710805
H -4.609508 2.750688 -1.044226
H 0.006945 3.631618 -0.039212
H 0.545082 2.630183 -1.412236
H -1.739605 0.191136 2.252422
H -3.198739 1.221147 2.178839
H -3.356510 -0.540228 2.098184
H 1.867905 2.877095 1.363171
H 2.545269 3.477803 -0.164483
H 2.394056 -1.306058 -1.147691
H 2.216544 -2.103547 0.425650
H -5.252966 0.663878 -2.170267
H -3.498321 0.726648 -2.502326
H -4.245883 -0.798193 -1.948084
H 2.832641 -0.044677 2.453191
H 1.297328 0.850392 2.487001
H 1.291358 -0.933277 2.374063
H -5.262322 -0.785382 0.261137
H 4.626001 -2.045494 -0.319138
H 4.401793 -1.170579 1.207721
H 4.407127 2.243351 -0.707688
H 1.401632 -4.292499 -1.467697
H -0.276329 -4.640893 -1.937743
H 0.462731 -5.550171 -0.574181


