%chk=000291601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291601

0 1
S 4.320147 0.248316 -0.013412
S -4.633546 -0.541127 0.170506
O 0.016021 -0.582623 -1.303237
O 2.852820 0.980851 0.466422
O 0.758792 3.016110 0.433359
O -1.760901 1.689994 0.909923
O 1.471678 -1.314098 0.365983
O -3.158156 -1.219590 -0.353229
O 5.307881 1.262253 0.195699
O 4.061630 -0.287052 -1.328335
O -5.519280 -1.665401 0.254237
O -4.898322 0.556721 -0.725009
C 0.612798 1.590151 0.471958
C -0.801120 1.356278 -0.105966
C 1.714821 0.932986 -0.389969
C -1.033679 -0.138365 -0.404543
C 1.345841 -0.512586 -0.811487
C -2.311433 -0.443666 -1.202504
C 1.222193 -2.722950 0.145521
C 4.431309 -1.006403 1.166570
C -4.214038 0.029473 1.747948
H 0.690146 1.244488 1.529615
H -0.974017 2.006435 -0.994066
H 1.926515 1.542095 -1.303341
H -0.991867 -0.745445 0.530707
H 1.947312 -0.915622 -1.662763
H -2.076006 -1.113329 -2.060399
H -2.822537 0.463649 -1.581628
H 1.652791 3.268761 0.767443
H -1.681906 2.652265 1.122383
H 1.183968 -3.127689 1.162345
H 2.042543 -3.155976 -0.433825
H 0.261571 -2.863276 -0.366094
H 4.869454 -0.681073 2.123809
H 3.428712 -1.416341 1.425002
H 5.025415 -1.874303 0.843427
H -4.943185 0.737557 2.169050
H -4.108302 -0.772777 2.493738
H -3.246366 0.578607 1.762960


%chk=000291601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291601

0 1
S 4.490638 0.628005 -0.344109
S -4.913282 0.139172 -0.153533
O -0.012426 -0.856059 -1.174158
O 2.848862 0.948900 0.542096
O 0.623283 2.631459 1.042965
O -1.850479 1.387990 1.208021
O 1.640714 -1.593090 0.447013
O -3.477623 -1.107972 -0.051899
O 5.390704 1.961069 -0.242035
O 4.185389 -0.060876 -1.781983
O -6.262306 -0.692737 -0.453598
O -4.454074 1.344151 -1.141086
C 0.531450 1.197213 0.756059
C -0.881418 0.992315 0.178794
C 1.616955 0.737578 -0.237774
C -1.086235 -0.484086 -0.204714
C 1.360140 -0.725681 -0.682141
C -2.377429 -0.809874 -0.977893
C 1.542734 -3.024049 0.095813
C 5.083871 -0.673309 0.908259
C -4.864934 0.680519 1.660930
H 0.636878 0.602379 1.685778
H -0.997199 1.632803 -0.720636
H 1.608832 1.379338 -1.139346
H -1.016897 -1.119574 0.700202
H 1.972700 -1.000149 -1.559909
H -2.207247 -1.720582 -1.579780
H -2.652698 0.023893 -1.656032
H 1.535042 2.830329 1.375687
H -1.565075 2.291036 1.511939
H 1.773306 -3.575753 1.019546
H 2.272580 -3.282634 -0.697308
H 0.525022 -3.275208 -0.252261
H 5.212213 -0.131571 1.854618
H 4.268118 -1.407110 0.956695
H 6.027728 -1.076162 0.515007
H -5.632395 1.459413 1.771480
H -5.094017 -0.225983 2.237073
H -3.831730 1.032199 1.801018


