%chk=000179569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179569

0 1
O -0.013570 1.018265 0.821667
O 2.739335 1.785887 1.306062
O 4.740020 -0.271471 0.655256
O 4.135112 -2.237856 -0.930394
O 1.524236 -2.852570 -1.463274
O -0.899485 -2.299419 -1.285198
C 0.685145 -0.915471 -0.264571
C 1.053936 0.264343 0.440508
C 2.401312 0.580523 0.695420
C 1.743048 -1.753399 -0.741451
C 3.424514 -0.344405 0.345952
C 3.095898 -1.483378 -0.419491
C -0.688582 -1.318636 -0.551809
C -1.846846 -0.606309 0.029392
C -3.020103 -0.540888 -0.615356
C -4.207767 0.148403 -0.085412
C 0.165116 2.128688 1.745936
C 3.029632 2.833235 0.331167
C 5.196732 0.743500 1.593645
C 4.200459 -3.587734 -0.388803
C -4.565086 0.040944 1.268620
C -5.003502 0.915383 -0.954620
C -5.702940 0.696537 1.746512
C -6.134270 1.574865 -0.468626
C -6.486566 1.465981 0.881206
H -1.686082 -0.142720 1.008114
H -3.145836 -1.006863 -1.602532
H 0.488129 -2.998899 -1.684567
H -0.857731 2.272743 2.114216
H 0.519728 2.998925 1.187632
H 0.860615 1.866567 2.550853
H 2.143742 3.038416 -0.275604
H 3.868930 2.536354 -0.304053
H 3.288084 3.682005 0.970995
H 4.491103 0.872135 2.421331
H 5.345017 1.681238 1.052339
H 6.149069 0.314389 1.929041
H 4.336587 -3.555411 0.693169
H 5.086562 -3.985773 -0.894189
H 3.298898 -4.141678 -0.671367
H -3.960663 -0.563805 1.943557
H -4.735035 1.000254 -2.006778
H -5.979758 0.605784 2.795809
H -6.745294 2.172694 -1.143420
H -7.371444 1.977327 1.255918


%chk=000179569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179569

0 1
O 0.249967 1.387212 1.075515
O 2.968961 1.907513 1.411173
O 4.915464 0.140285 0.308360
O 4.187990 -2.077692 -1.083913
O 1.443089 -2.664150 -1.473795
O -0.898385 -2.150364 -1.140645
C 0.750027 -0.684071 -0.192192
C 1.186963 0.463506 0.557593
C 2.558407 0.735126 0.724303
C 1.779102 -1.558509 -0.737805
C 3.553862 -0.149117 0.202583
C 3.169871 -1.301595 -0.527620
C -0.654912 -1.031830 -0.493194
C -1.796021 -0.176613 -0.134342
C -3.081755 -0.586508 -0.389969
C -4.312256 0.159485 -0.107222
C 0.237495 1.512785 2.554708
C 3.090556 3.079143 0.508059
C 5.464302 0.285652 1.678056
C 4.130084 -3.546144 -0.901650
C -4.319626 1.469430 0.460123
C -5.564814 -0.449315 -0.413797
C -5.533039 2.136770 0.710818
C -6.780441 0.219046 -0.162136
C -6.769618 1.515611 0.402585
H -1.561677 0.783791 0.325991
H -3.200633 -1.576411 -0.853849
H 0.367936 -2.687540 -1.475704
H -0.521930 2.279194 2.774255
H 1.227686 1.834913 2.916741
H -0.053184 0.548416 3.012129
H 2.109903 3.309151 0.053142
H 3.841606 2.876607 -0.277456
H 3.421078 3.915023 1.143880
H 5.387496 -0.679138 2.213770
H 4.935446 1.079164 2.232042
H 6.522635 0.547385 1.530582
H 4.084305 -3.799462 0.175546
H 5.074671 -3.911519 -1.332326
H 3.261546 -3.972423 -1.426363
H -3.372073 1.964866 0.698028
H -5.573479 -1.454933 -0.851693
H -5.522501 3.143107 1.144079
H -7.731961 -0.266257 -0.404839
H -7.711742 2.039110 0.599252


