%chk=000182982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182982

0 1
I -6.682840 0.275044 -0.085690
O 0.118206 -1.453765 -0.065052
O 0.219313 0.587213 -1.149387
O 0.218827 0.508286 1.164333
C 2.229613 -0.221396 -0.014254
C 3.772634 -0.307556 -0.049731
C 1.563112 -1.618126 -0.032602
C 1.668061 0.528374 -1.247470
C 1.672878 0.504887 1.229766
C -0.305960 -0.094517 -0.014757
C 4.418605 1.095127 0.007946
C 4.317349 -1.193841 1.075311
C -1.806065 -0.011875 -0.024054
C 5.848561 1.091094 -0.525431
C -2.549682 -0.999442 -0.684265
C -2.445196 1.056231 0.619821
C -3.946207 -0.918011 -0.701202
C -3.841734 1.138080 0.603165
C -4.567936 0.150012 -0.058020
H 4.053154 -0.779984 -1.027162
H 1.803382 -2.204405 -0.934291
H 1.760476 -2.208480 0.878004
H 1.991758 1.582281 -1.301625
H 1.875283 0.014319 -2.200422
H 1.911818 -0.007042 2.176640
H 1.959361 1.567877 1.281716
H 4.410977 1.472430 1.049391
H 3.816727 1.820386 -0.576525
H 4.004872 -0.846879 2.066412
H 5.415533 -1.196383 1.070843
H 3.998171 -2.236363 0.971972
H 6.295824 2.090416 -0.460139
H 5.891530 0.783606 -1.576704
H 6.493480 0.409490 0.042060
H -2.034019 -1.828539 -1.175824
H -1.848809 1.813862 1.134909
H -4.529041 -1.684816 -1.213678
H -4.343420 1.967706 1.103500


%chk=000182982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182982

0 1
I -6.784280 0.350494 -0.001431
O 0.120346 -1.469447 -0.402282
O 0.198128 0.832893 -1.036979
O 0.198875 0.233469 1.275649
C 2.226678 -0.209641 -0.068421
C 3.788815 -0.271206 -0.114064
C 1.570070 -1.618618 -0.081680
C 1.635624 0.530005 -1.301718
C 1.664479 0.515529 1.183420
C -0.325365 -0.127061 -0.047555
C 4.440934 1.117872 0.159251
C 4.364692 -1.347555 0.842310
C -1.830335 -0.048485 -0.029529
C 5.921442 1.202814 -0.271421
C -2.627935 -1.143952 -0.423655
C -2.442779 1.158876 0.377254
C -4.037430 -1.039308 -0.416582
C -3.849182 1.277982 0.388468
C -4.633816 0.174135 -0.012119
H 4.059678 -0.568039 -1.152302
H 1.988918 -2.260115 -0.877536
H 1.661510 -2.124946 0.896730
H 2.113652 1.507055 -1.483595
H 1.713457 -0.096412 -2.212290
H 2.099332 0.132562 2.122895
H 1.812115 1.609715 1.122223
H 4.358001 1.350894 1.240334
H 3.878609 1.909379 -0.373254
H 4.082807 -1.147263 1.893285
H 5.467200 -1.360302 0.790483
H 4.017079 -2.363566 0.584079
H 6.325034 2.215971 -0.093204
H 6.032774 0.981034 -1.349761
H 6.557628 0.492359 0.286164
H -2.145741 -2.075744 -0.730482
H -1.820277 2.001861 0.690705
H -4.652574 -1.890764 -0.720706
H -4.319568 2.212823 0.704820


