%chk=000221719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221719

0 1
O 1.076836 -0.519373 -0.308272
O 0.611701 1.663540 -1.027431
O -5.122375 -0.216410 0.422456
C 2.895199 1.117404 -0.305990
C 2.507811 -0.365966 -0.524258
C 2.006727 1.955090 -1.247265
C 3.137361 -1.354872 0.459391
C 2.702893 1.572282 1.151784
C 0.267032 0.275382 -1.190405
C 3.127285 -2.787642 -0.090642
C 3.338003 2.932032 1.429568
C -1.153231 0.140867 -0.720020
C 3.730721 -3.776278 0.903386
C -2.200779 0.126051 -1.659037
C -1.433676 0.043136 0.648426
C -3.518456 0.004879 -1.237013
C -2.751379 -0.083066 1.098233
C -3.778559 -0.099613 0.146993
C -5.523420 -0.323848 1.809663
H 3.964167 1.253559 -0.593096
H 2.720577 -0.655341 -1.579342
H 2.051874 3.036578 -1.020806
H 2.246993 1.785704 -2.309914
H 2.568221 -1.323362 1.413412
H 4.170406 -1.043904 0.702921
H 3.125251 0.822216 1.846573
H 1.612151 1.604989 1.366932
H 0.453831 -0.030693 -2.239119
H 3.681186 -2.833916 -1.047924
H 2.082043 -3.078909 -0.325829
H 4.415915 2.927499 1.236422
H 2.892496 3.721457 0.812370
H 3.193100 3.223855 2.476475
H 4.771678 -3.530504 1.140539
H 3.172847 -3.789391 1.847159
H 3.716582 -4.796429 0.502959
H -1.981345 0.214038 -2.723490
H -0.605438 0.059033 1.362382
H -4.347302 -0.008330 -1.939964
H -2.955155 -0.161969 2.159632
H -5.234558 0.576640 2.359215
H -5.102844 -1.228691 2.257482
H -6.615172 -0.398423 1.722343


%chk=000221719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221719

0 1
O 1.085838 -0.415559 0.018009
O 0.664303 1.729112 -1.029356
O -5.296825 0.124760 0.542529
C 3.009081 1.070284 -0.498505
C 2.513960 -0.403552 -0.411275
C 2.069008 1.803557 -1.487039
C 3.274372 -1.312717 0.561457
C 3.088043 1.762921 0.886225
C 0.255415 0.323730 -0.930824
C 2.924284 -2.808084 0.390954
C 3.592608 3.221408 0.831563
C -1.190266 0.260849 -0.489361
C 3.647032 -3.706637 1.416446
C -2.110181 1.246098 -0.932543
C -1.653884 -0.795722 0.323681
C -3.466493 1.172579 -0.570802
C -3.014926 -0.882469 0.695472
C -3.923887 0.105374 0.243027
C -5.818031 -0.949826 1.388797
H 4.025189 1.059173 -0.950996
H 2.560037 -0.841920 -1.439026
H 2.292212 2.878205 -1.565838
H 2.148757 1.343628 -2.498638
H 3.045315 -0.999351 1.597778
H 4.363109 -1.161936 0.409590
H 3.769800 1.178348 1.533596
H 2.089001 1.727243 1.358034
H 0.409840 -0.136301 -1.941931
H 3.187464 -3.131607 -0.637388
H 1.828568 -2.927497 0.488608
H 4.552858 3.296518 0.284888
H 2.865782 3.890867 0.337663
H 3.756346 3.614997 1.851365
H 4.746146 -3.610266 1.328304
H 3.368626 -3.429506 2.450689
H 3.389291 -4.771820 1.271972
H -1.748317 2.077854 -1.544260
H -0.939836 -1.545084 0.677214
H -4.187342 1.927292 -0.899581
H -3.346275 -1.709603 1.330469
H -5.341558 -0.943322 2.388785
H -5.673978 -1.941912 0.917430
H -6.893288 -0.740805 1.489716


