%chk=000146141.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000146141

0 1
S 3.084421 -0.298873 2.765084
O -4.954183 -1.039515 -1.067626
O 5.016846 0.161194 -1.819994
C -0.673093 0.754337 0.450067
C 0.167403 -0.417719 -0.147275
C -2.025291 0.746854 -0.273455
C -2.792258 -0.579438 0.016412
C 1.593666 -0.473117 0.500189
C -0.579405 -1.764626 -0.033732
C -2.002029 -1.727996 -0.619744
C 0.048325 2.102067 0.279525
C -3.060335 1.852800 0.010599
C 2.212965 0.907266 0.266445
C 1.462689 2.060429 0.876318
C -4.172274 -0.256355 -0.596153
C -4.389142 1.250951 -0.492059
C 2.449327 -1.599663 -0.140454
C -3.064289 -0.854399 1.502389
C 1.487425 -0.754806 2.012053
C 3.088790 -1.211109 -1.470282
C 3.278581 1.114899 -0.521289
C 3.927971 0.043242 -1.302171
H -0.825632 0.573606 1.541706
H 0.321151 -0.206778 -1.235959
H -1.811010 0.785664 -1.375474
H -0.635239 -2.079609 1.026402
H 0.007431 -2.551329 -0.551523
H -1.967748 -1.611265 -1.719447
H -2.512569 -2.694694 -0.444270
H -0.536481 2.906329 0.764351
H 0.106531 2.374722 -0.792697
H -2.813727 2.790030 -0.512373
H -3.111377 2.097383 1.084600
H 1.424080 1.970406 1.981127
H 1.980669 3.023158 0.690113
H -4.682534 1.660899 -1.475386
H -5.233542 1.473625 0.182869
H 1.831960 -2.510274 -0.278508
H 3.260093 -1.899354 0.559614
H -3.704607 -1.737888 1.624009
H -2.135260 -1.049637 2.050345
H -3.561464 -0.012106 1.995871
H 1.258040 -1.818411 2.200806
H 0.672023 -0.163472 2.472293
H 2.324343 -1.030930 -2.251613
H 3.718062 -2.038630 -1.856472
H 3.726691 2.101181 -0.650158
H 2.860306 -0.744751 4.019128


%chk=000146141-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146141

0 1
S 3.243819 -0.375032 2.927850
O -4.951252 -1.057533 -1.205239
O 4.745141 0.353010 -2.325100
C -0.666348 0.757721 0.506434
C 0.176095 -0.446633 -0.054798
C -2.024197 0.751772 -0.224802
C -2.819800 -0.569500 0.001875
C 1.654019 -0.480324 0.542673
C -0.593964 -1.795395 0.074913
C -2.010875 -1.753385 -0.564656
C 0.067240 2.110844 0.351842
C -3.070242 1.872138 0.022311
C 2.236608 0.918295 0.280961
C 1.508124 2.067340 0.942549
C -4.152638 -0.235318 -0.697605
C -4.346698 1.299081 -0.660732
C 2.550796 -1.576228 -0.109750
C -3.210197 -0.826595 1.493426
C 1.584003 -0.779882 2.070951
C 3.048125 -1.228684 -1.526594
C 3.238448 1.145401 -0.628069
C 3.781776 0.112668 -1.535464
H -0.851259 0.597280 1.589307
H 0.301493 -0.248864 -1.143551
H -1.790755 0.785033 -1.315658
H -0.681038 -2.080242 1.141838
H -0.018881 -2.602421 -0.415287
H -1.917981 -1.639238 -1.663377
H -2.536223 -2.710530 -0.388016
H -0.513284 2.911089 0.849424
H 0.131724 2.374903 -0.723902
H -2.766383 2.839540 -0.412692
H -3.235004 2.034688 1.103999
H 1.457925 1.934302 2.040263
H 2.028759 3.022067 0.749008
H -4.443645 1.653451 -1.705405
H -5.294829 1.556473 -0.155192
H 2.014934 -2.542655 -0.120353
H 3.433913 -1.714358 0.543834
H -3.836664 -1.734723 1.551841
H -2.321318 -0.983442 2.128210
H -3.787088 0.008604 1.929315
H 1.387086 -1.853262 2.226903
H 0.804170 -0.190037 2.575460
H 2.200157 -1.154150 -2.238815
H 3.726194 -2.007121 -1.918109
H 3.637949 2.158415 -0.768168
H 2.948368 -1.054265 4.100350


