%chk=000269317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269317

0 1
S 2.988631 -0.001294 1.062130
S -2.988620 -0.000405 -1.062114
S 6.638866 0.000582 -1.170882
S -6.638879 -0.000454 1.170861
O 1.952749 0.000589 -1.823723
O -1.952737 -0.000984 1.823749
O 7.677566 -0.001155 1.724221
O -7.677528 0.000305 -1.724255
O 11.592154 0.000173 -1.907040
O -11.592181 -0.001386 1.906937
C 1.357367 -0.000744 0.474929
C -1.357358 -0.000346 -0.474906
C 4.125431 -0.000098 -0.365470
C -4.125437 -0.000494 0.365475
C 5.501873 -0.000464 0.256995
C -5.501871 -0.000221 -0.257005
C 1.064179 0.000043 -1.001217
C -1.064168 -0.000838 1.001241
C 0.368237 -0.001104 1.382083
C -0.368226 0.000085 -1.382059
C 8.272484 -0.000047 -0.577529
C -8.272488 -0.000540 0.577483
C 8.558683 -0.000777 0.895051
C -8.558661 -0.000024 -0.895102
C 9.260792 0.000196 -1.484281
C -9.260811 -0.001045 1.484218
C 10.697606 -0.000116 -1.093292
C -10.697618 -0.000997 1.093204
C 10.001631 -0.001053 1.285655
C -10.001602 0.000039 -1.285731
C 10.981894 -0.000784 0.382169
C -10.981881 -0.000439 -0.382262
H 3.937224 0.887270 -1.008890
H 3.937344 -0.886503 -1.010250
H -3.937199 0.886267 1.009722
H -3.937396 -0.887508 1.009432
H 5.689730 -0.888265 0.899206
H 5.689650 0.886474 0.900421
H -5.689762 -0.887418 -0.900039
H -5.689603 0.887321 -0.899610
H 0.546208 -0.001608 2.464137
H -0.546197 0.000511 -2.464113
H 9.085100 0.000653 -2.566152
H -9.085138 -0.001503 2.566092
H 10.181409 -0.001511 2.365154
H -10.181362 0.000481 -2.365233
H 12.043055 -0.001017 0.647543
H -12.043037 -0.000445 -0.647655


%chk=000269317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269317

0 1
S 3.079166 -0.003087 1.095530
S -3.079166 -0.002189 -1.095578
S 6.909223 0.000087 -1.192236
S -6.909212 -0.000359 1.192207
O 1.961436 -0.001773 -1.913451
O -1.961435 -0.003771 1.913400
O 8.045875 0.002121 1.819311
O -8.045879 0.004027 -1.819332
O 11.984427 0.000736 -1.969515
O -11.984413 -0.001296 1.969509
C 1.386647 -0.002953 0.455757
C -1.386646 -0.002577 -0.455807
C 4.300416 -0.001902 -0.373035
C -4.300409 -0.002086 0.372993
C 5.690410 -0.001103 0.277978
C -5.690406 -0.000485 -0.278013
C 1.053730 -0.002486 -1.015775
C -1.053728 -0.003539 1.015724
C 0.364896 -0.003430 1.383583
C -0.364895 -0.002123 -1.383634
C 8.609995 0.000526 -0.553239
C -8.609988 0.000354 0.553218
C 8.939883 0.001419 0.915776
C -8.939882 0.002461 -0.915794
C 9.630200 0.000241 -1.484959
C -9.630188 -0.000841 1.484942
C 11.050158 0.000770 -1.098060
C -11.050148 -0.000176 1.098050
C 10.378535 0.002236 1.293578
C -10.378536 0.003140 -1.293589
C 11.372044 0.001959 0.358525
C -11.372041 0.001930 -0.358533
H 4.110817 0.892862 -0.982590
H 4.112036 -0.896611 -0.983041
H -4.110661 0.892116 0.983328
H -4.112174 -0.897356 0.982216
H 5.877178 -0.896797 0.887258
H 5.875965 0.894536 0.887701
H -5.877326 -0.895623 -0.888065
H -5.875815 0.895709 -0.886963
H 0.559451 -0.003794 2.461572
H -0.559450 -0.001441 -2.461622
H 9.429834 -0.000421 -2.562263
H -9.429817 -0.002384 2.562244
H 10.575796 0.003078 2.371024
H -10.575803 0.004710 -2.371033
H 12.434998 0.002554 0.624341
H -12.434997 0.002432 -0.624343


