%chk=000228169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228169

0 1
S 3.191925 1.467060 0.959642
S 4.200587 -1.173525 0.522778
O 1.962025 -0.848993 -2.576211
O 1.434649 -1.256228 0.932973
O 0.113784 -3.138491 -2.338026
O -1.945843 -0.628020 -1.305375
O -0.900098 1.229331 -0.548918
C 1.545155 -1.537588 -1.384819
C 1.722363 -0.497726 -0.251099
C 0.064394 -1.968821 -1.500208
C 3.127407 0.083365 -0.212615
C -0.825584 -0.923527 -2.187380
C 2.127942 2.731926 0.171930
C 5.866763 -0.623080 0.004505
C 2.132433 3.923370 1.104144
C 6.833329 -1.641811 0.569299
C -1.867560 0.497991 -0.510456
C -3.085863 0.636841 0.318009
C -3.146797 1.704583 1.229396
C -4.156698 -0.263303 0.208236
C -4.280124 1.867217 2.028169
C -5.287184 -0.093247 1.010665
C -5.348445 0.969576 1.918848
H 2.190330 -2.435054 -1.230549
H 0.952594 0.316713 -0.343283
H -0.334288 -2.237141 -0.491308
H 3.458040 0.386305 -1.234502
H -0.278431 0.005834 -2.444830
H -1.323889 -1.328472 -3.087160
H 1.947396 -1.479581 -3.332436
H 1.656868 -0.734175 1.741161
H -0.665069 -3.707485 -2.177056
H 2.523769 2.989754 -0.826407
H 1.102400 2.329118 0.025030
H 5.923365 -0.572199 -1.097624
H 6.068156 0.392205 0.395992
H 1.504821 4.732208 0.704203
H 3.140089 4.338065 1.246633
H 1.738191 3.674424 2.099331
H 7.868895 -1.387342 0.304444
H 6.643119 -2.654588 0.186830
H 6.787269 -1.694245 1.666658
H -2.305480 2.398853 1.305140
H -4.098103 -1.090330 -0.503910
H -4.331558 2.693024 2.736836
H -6.120917 -0.789506 0.929122
H -6.232226 1.099014 2.544500


%chk=000228169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228169

0 1
S 2.715340 1.369847 1.216600
S 3.783492 -1.455624 0.706600
O 2.122897 -0.897816 -2.809669
O 0.639742 -0.958185 0.548388
O 0.337129 -2.906799 -3.182795
O -1.933085 -0.648782 -1.429180
O -1.068100 1.478419 -0.992552
C 1.460285 -1.508883 -1.648116
C 1.446783 -0.431293 -0.556782
C 0.052456 -1.999276 -2.043981
C 2.852525 -0.025446 -0.088001
C -0.928962 -0.888770 -2.497614
C 2.085240 2.807446 0.122201
C 5.541902 -0.793019 0.413754
C 2.234798 4.125395 0.895971
C 6.550191 -1.668561 1.169662
C -1.867347 0.547553 -0.711282
C -2.871721 0.593981 0.388710
C -2.983756 1.794444 1.137696
C -3.698085 -0.515910 0.702771
C -3.916466 1.884924 2.190738
C -4.629811 -0.420789 1.757612
C -4.741487 0.777597 2.502379
H 2.031694 -2.390612 -1.296294
H 0.969362 0.478420 -0.975951
H -0.396992 -2.544369 -1.192780
H 3.439660 0.346561 -0.943991
H -0.411373 0.051872 -2.752703
H -1.514310 -1.234049 -3.366403
H 2.048458 -1.555688 -3.549690
H 0.793917 -0.347239 1.322549
H -0.447992 -3.478551 -3.367092
H 2.701340 2.805316 -0.794308
H 1.034993 2.608293 -0.146031
H 5.727546 -0.802774 -0.674092
H 5.553627 0.248005 0.780257
H 1.869864 4.966861 0.277893
H 3.289572 4.320887 1.158271
H 1.644726 4.112267 1.830221
H 7.577190 -1.295095 1.000272
H 6.510430 -2.718517 0.827724
H 6.354142 -1.651985 2.256210
H -2.334744 2.637474 0.878834
H -3.597495 -1.436779 0.122527
H -4.002030 2.812105 2.767506
H -5.265979 -1.278210 2.002420
H -5.465664 0.847656 3.321844


