%chk=000284496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284496

0 1
S 2.540285 0.708958 0.273669
O 3.044619 2.040155 -0.040788
O 2.907968 0.120433 1.554460
C 0.706330 -1.707897 0.649528
C 1.473833 -2.299118 -0.542357
C 0.050670 -0.398036 0.306701
C 2.931947 -1.827328 -0.629300
C 3.083546 -0.362642 -1.024262
C 0.813482 0.734525 0.117684
C -1.381933 -0.321434 0.165240
C 0.206541 1.982771 -0.195743
C -1.978681 0.927132 -0.155953
C -1.152874 2.082128 -0.332507
C -2.233389 -1.459497 0.337770
C -3.401375 1.011784 -0.299815
C -3.593511 -1.355634 0.194213
C -4.186034 -0.100353 -0.129629
H 1.391071 -1.571137 1.526854
H -0.040798 -2.447920 1.008968
H 1.466664 -3.405237 -0.455306
H 0.940741 -2.075431 -1.487627
H 3.446109 -2.011318 0.342162
H 3.468164 -2.458059 -1.369204
H 4.145271 -0.151326 -1.274358
H 2.551064 -0.156473 -1.973097
H 0.849920 2.864237 -0.323796
H -1.623639 3.034166 -0.571102
H -1.773496 -2.418422 0.590999
H -3.843247 1.976871 -0.544624
H -4.238895 -2.222303 0.326184
H -5.269253 -0.043693 -0.236764


%chk=000284496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284496

0 1
S 2.641000 0.777830 0.284396
O 3.135095 2.275564 -0.160544
O 3.138186 0.135566 1.710640
C 0.734101 -1.715668 0.691339
C 1.502969 -2.381763 -0.496028
C 0.025401 -0.410220 0.340417
C 2.966421 -1.903596 -0.678781
C 3.153364 -0.456942 -1.131786
C 0.734251 0.778870 0.154920
C -1.415774 -0.327961 0.171872
C 0.170902 2.043761 -0.147512
C -2.028443 0.956018 -0.134074
C -1.213052 2.125375 -0.281567
C -2.277519 -1.472361 0.287718
C -3.451854 1.038306 -0.291039
C -3.659957 -1.360283 0.123773
C -4.256656 -0.093547 -0.164230
H 1.453362 -1.520386 1.509858
H 0.003526 -2.439127 1.085273
H 1.541487 -3.471307 -0.305268
H 0.936181 -2.246403 -1.438477
H 3.525421 -2.051013 0.265821
H 3.457284 -2.543429 -1.440299
H 4.207441 -0.184045 -1.306695
H 2.521741 -0.145678 -1.979585
H 0.833242 2.907494 -0.268488
H -1.692407 3.084046 -0.508718
H -1.850058 -2.456037 0.501627
H -3.898287 2.013993 -0.515959
H -4.293844 -2.248792 0.215909
H -5.342425 -0.018361 -0.286313


