%chk=000194061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194061

0 1
S 0.771961 0.650081 -0.307442
S -2.365201 0.165248 -1.557417
O 0.897415 3.190663 0.125438
O -0.768571 -1.440020 0.132582
O -3.676200 0.316322 0.718755
O 2.291877 2.826013 1.873814
C -0.767978 1.475848 0.261810
C -1.691021 1.728761 -0.911155
C -0.250589 2.759173 0.909114
C 1.427025 -1.945198 -0.789582
C 0.307635 -1.104316 -0.269868
C 1.109796 -3.444333 -0.679623
C -3.827603 -1.831196 -0.425179
C 3.169245 3.478813 -0.332282
C -5.018286 -2.236447 0.455319
C 4.345053 4.247129 0.284165
C -3.423274 -0.415849 -0.192611
C 2.154868 3.117668 0.712187
C 2.250532 -4.297785 -1.221859
C -5.361601 -3.711977 0.284062
C 5.429146 4.527598 -0.750319
H -1.273628 0.831129 1.031336
H -1.174230 2.231846 -1.756084
H -2.534692 2.387665 -0.611033
H 0.045079 2.610557 1.968760
H -0.956394 3.605784 0.833765
H 2.370528 -1.716425 -0.244263
H 1.637972 -1.678688 -1.850452
H 0.906762 -3.705692 0.379179
H 0.171061 -3.667056 -1.227090
H -2.941305 -2.478981 -0.198689
H -4.057504 -2.026144 -1.494576
H 3.524103 2.541580 -0.816927
H 2.696084 4.065602 -1.149735
H -5.897889 -1.608707 0.207842
H -4.785288 -2.018665 1.518884
H 3.983380 5.198848 0.723232
H 4.765390 3.666117 1.132701
H 2.015842 -5.366142 -1.137817
H 3.184574 -4.127450 -0.673512
H 2.448278 -4.091434 -2.280216
H -5.627873 -3.952144 -0.751706
H -4.523675 -4.359988 0.567353
H -6.215381 -3.991674 0.913364
H 5.845287 3.602592 -1.166376
H 5.049653 5.123922 -1.588341
H 6.261636 5.085855 -0.304308


%chk=000194061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194061

0 1
S 1.277554 -0.440556 -0.826932
S -2.076378 0.118706 -1.712888
O 1.532165 2.566997 0.115204
O -0.382560 -2.293978 0.358118
O -3.090835 0.305648 0.831639
O 2.522319 3.518906 1.995454
C 0.037811 0.644567 0.126645
C -0.948610 1.340530 -0.826769
C 0.791274 1.634278 1.011836
C 1.337753 -3.243952 -1.119723
C 0.590984 -2.125004 -0.409166
C 1.536707 -4.495662 -0.229141
C -4.086636 -1.486008 -0.532053
C 3.152809 4.299451 -0.273458
C -5.424031 -1.414464 0.241068
C 3.744674 5.595116 0.320964
C -3.167001 -0.309844 -0.253782
C 2.403016 3.466362 0.751175
C 2.192197 -5.653535 -1.009391
C -6.265579 -2.693019 0.048539
C 4.601860 6.361115 -0.707595
H -0.503082 -0.066957 0.779952
H -0.434083 1.913494 -1.612543
H -1.608377 2.008320 -0.244783
H 1.507445 1.127383 1.680867
H 0.085737 2.223025 1.628186
H 2.305992 -2.870452 -1.501660
H 0.731612 -3.520595 -2.007933
H 2.163205 -4.226321 0.642906
H 0.555499 -4.808163 0.172071
H -3.524123 -2.392275 -0.221465
H -4.256661 -1.582416 -1.621233
H 3.966894 3.665620 -0.681987
H 2.479272 4.511896 -1.123836
H -5.997172 -0.530549 -0.099347
H -5.208436 -1.254864 1.313047
H 2.921689 6.240684 0.682804
H 4.348708 5.339870 1.210819
H 2.338671 -6.534567 -0.358926
H 3.181789 -5.361336 -1.408121
H 1.563274 -5.966377 -1.864225
H -6.503614 -2.863099 -1.018491
H -5.726080 -3.584513 0.420072
H -7.221194 -2.624119 0.599054
H 5.455085 5.746924 -1.052950
H 4.008790 6.643563 -1.597946
H 5.011667 7.288676 -0.268871


