%chk=000116021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116021

0 1
S 0.004369 -0.392710 -1.132308
O -4.799836 2.169927 -0.148369
O 4.782039 2.173615 -0.094474
C -6.161079 0.037809 1.138356
C 6.162030 0.034366 1.160100
C -4.923777 -0.176899 0.265433
C 4.928014 -0.178239 0.282009
C -6.704972 -1.286253 1.712572
C -7.265438 0.687430 0.281237
C -5.782741 0.960618 2.313413
C 6.717796 -1.293390 1.714086
C 5.773318 0.934735 2.349089
C 7.261266 0.708042 0.315044
C -4.270519 0.912564 -0.361098
C 4.265101 0.914802 -0.327959
C -4.365680 -1.437354 0.038450
C 4.382419 -1.440202 0.034038
C -2.613691 -0.520734 -1.374533
C 2.623388 -0.517950 -1.366460
C -3.139430 0.764239 -1.171529
C 3.136542 0.768588 -1.142276
C -3.231797 -1.618092 -0.764895
C 3.251266 -1.618944 -0.773623
C -1.410260 -0.708673 -2.240013
C 1.422873 -0.703357 -2.236530
H -7.589688 -1.104081 2.332780
H -7.006136 -1.979430 0.921094
H -5.967241 -1.786735 2.347766
H -6.945272 1.667341 -0.098796
H -8.179153 0.845923 0.860417
H -7.517504 0.066383 -0.583082
H -5.448767 1.943086 1.952332
H -4.967953 0.536361 2.907724
H -6.633059 1.129733 2.979408
H 7.599872 -1.112630 2.338456
H 5.984016 -1.810911 2.340132
H 7.026704 -1.971005 0.912185
H 5.430488 1.919613 2.003182
H 6.621066 1.101312 3.018989
H 4.961775 0.493386 2.935348
H 6.932238 1.690779 -0.049822
H 7.520402 0.103258 -0.558662
H 8.172663 0.866025 0.898008
H -4.812730 -2.322432 0.495120
H 4.837467 -2.328158 0.477009
H -2.666373 1.629655 -1.624326
H 2.655725 1.636550 -1.581936
H -2.829511 -2.619160 -0.901309
H 2.858918 -2.621519 -0.926614
H -1.353214 -1.729388 -2.662481
H -1.398738 -0.007403 -3.095288
H 1.413930 0.001659 -3.088810
H 1.367773 -1.722230 -2.663592
H -4.267556 2.870803 -0.598441
H 4.243357 2.876477 -0.533749


%chk=000116021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116021

0 1
S 0.002927 -0.549537 -0.569930
O -4.951610 2.252328 -0.063326
O 4.952399 2.254320 -0.041055
C -6.642787 0.086397 0.953447
C 6.643086 0.088674 0.977540
C -5.292424 -0.147891 0.235386
C 5.295308 -0.145984 0.254750
C -7.310783 -1.247548 1.379948
C -7.626814 0.828077 -0.003138
C -6.414151 0.937781 2.240281
C 7.311077 -1.245263 1.404043
C 6.409482 0.937762 2.265000
C 7.629428 0.832879 0.025296
C -4.487561 0.928664 -0.249379
C 4.490669 0.930380 -0.230844
C -4.770283 -1.447804 0.016662
C 4.775489 -1.446177 0.032221
C -2.762183 -0.601784 -1.108507
C 2.770082 -0.600810 -1.098211
C -3.256924 0.708466 -0.904741
C 3.262486 0.709727 -0.890633
C -3.539246 -1.683788 -0.635177
C 3.546897 -1.682620 -0.624055
C -1.441190 -0.827786 -1.801669
C 1.451733 -0.827341 -1.796240
H -8.266855 -1.023640 1.887397
H -7.537460 -1.894139 0.511748
H -6.682688 -1.817606 2.089744
H -7.222570 1.805397 -0.310705
H -8.592658 0.994049 0.510882
H -7.818908 0.224891 -0.910020
H -5.973601 1.917048 1.995627
H -5.738156 0.412674 2.940485
H -7.379821 1.105153 2.754439
H 8.265142 -1.021192 1.915181
H 6.681134 -1.817234 2.110656
H 7.541465 -1.890101 0.535516
H 5.968735 1.916984 2.020535
H 7.373342 1.105276 2.782497
H 5.731805 0.410854 2.962217
H 7.224979 1.810078 -0.282387
H 7.825464 0.231127 -0.881700
H 8.593274 0.999445 0.542864
H -5.341757 -2.311203 0.366795
H 5.346884 -2.309430 0.382853
H -2.664823 1.566713 -1.253573
H 2.670433 1.567793 -1.239979
H -3.181656 -2.710766 -0.770637
H 3.191037 -2.709819 -0.762364
H -1.359398 -1.860913 -2.179353
H -1.287910 -0.120839 -2.636271
H 1.301251 -0.120489 -2.631435
H 1.371785 -1.860508 -2.174205
H -4.292066 2.897365 -0.421443
H 4.293190 2.899111 -0.400231


