%chk=000225476.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225476

0 1
O 4.487855 -0.727289 0.063895
O -1.614785 0.302168 -0.220449
O -1.077320 2.305363 -1.169771
O -3.543072 -2.469420 1.787224
O -2.069564 -2.536010 0.115158
C 0.658045 0.747810 -0.487095
C 1.062250 -0.501789 -1.031209
C 1.569098 1.531183 0.261592
C 3.253960 -0.162330 -0.066034
C 2.364803 -0.950516 -0.821131
C 2.872492 1.075182 0.476621
C 5.516416 -0.013427 0.827909
C 0.114888 -1.318500 -1.832450
C 1.140558 2.839681 0.835673
C -0.693525 1.265240 -0.704811
C 6.712206 -0.959912 0.739173
C 7.913404 -0.389322 1.481953
C -2.987301 0.437549 -0.225293
C -3.675007 -0.695450 0.264857
C -3.680444 1.587111 -0.631811
C -5.076298 -0.632646 0.378175
C -5.069247 1.609784 -0.530271
C -5.770176 0.506665 -0.020707
C -2.975348 -1.933345 0.644998
H 2.708178 -1.901368 -1.222763
H 3.565115 1.674974 1.054407
H 5.152925 0.125011 1.859312
H 5.700270 0.959049 0.342593
H -0.353627 -0.749288 -2.645648
H 0.574582 -2.209337 -2.278642
H -0.717529 -1.690072 -1.188137
H 1.975340 3.427082 1.239419
H 0.642786 3.473198 0.079385
H 0.420334 2.699439 1.656555
H 6.432192 -1.952524 1.149286
H 6.961336 -1.145692 -0.326303
H 7.702658 -0.238112 2.547411
H 8.771987 -1.070089 1.416469
H 8.233257 0.573579 1.066044
H -3.137819 2.453217 -1.024022
H -5.611513 -1.494990 0.786168
H -5.616943 2.499527 -0.847450
H -6.854479 0.543200 0.064113
H -3.098640 -3.314585 2.065109


%chk=000225476-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225476

0 1
O 4.635203 -0.747995 -0.068598
O -1.715602 0.092530 -0.219852
O -1.114618 2.348146 0.020551
O -4.444083 -2.458249 1.744317
O -2.326487 -2.417512 0.812479
C 0.633439 0.632837 -0.097850
C 1.014153 -0.592016 -0.761913
C 1.628585 1.414814 0.587857
C 3.338867 -0.231511 -0.035126
C 2.363709 -0.989448 -0.722624
C 2.967247 0.964657 0.620956
C 5.706721 -0.005036 0.627569
C 0.055918 -1.487245 -1.529016
C 1.316355 2.712322 1.315999
C -0.754509 1.154538 -0.105838
C 7.005426 -0.785343 0.413692
C 8.202311 -0.095984 1.104862
C -3.102436 0.318800 -0.337278
C -3.969640 -0.663531 0.232187
C -3.637108 1.430927 -1.030544
C -5.374846 -0.481360 0.110075
C -5.034245 1.575148 -1.150664
C -5.909389 0.624596 -0.575348
C -3.454749 -1.881830 0.915643
H 2.683550 -1.905090 -1.228895
H 3.705986 1.561276 1.163303
H 5.461540 0.072211 1.707255
H 5.782806 1.018391 0.204806
H -0.562121 -0.919148 -2.246341
H 0.621300 -2.251206 -2.089632
H -0.644813 -1.989756 -0.840323
H 2.192052 3.041103 1.901464
H 1.040819 3.512559 0.607788
H 0.455253 2.610110 1.999288
H 6.874431 -1.810830 0.806117
H 7.191105 -0.878138 -0.672462
H 8.047298 -0.016837 2.197357
H 9.131113 -0.669475 0.939181
H 8.363449 0.924971 0.710485
H -2.966642 2.180308 -1.452184
H -6.030682 -1.231068 0.559420
H -5.436799 2.438019 -1.692215
H -6.993712 0.743760 -0.664258
H -4.061857 -3.283417 2.147811


