%chk=000194282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194282

0 1
S 4.057445 -1.047114 -2.003105
O 1.829335 -0.731170 1.343556
O -0.042538 0.191558 0.307018
O -1.911187 -0.515033 1.470813
O 0.953733 2.568639 -0.081316
O 3.448434 1.770437 -1.538685
O -0.243402 -1.579840 -1.571538
O -3.032526 -1.181858 -2.415984
O -4.051169 1.190255 -0.994579
O 2.867932 -3.729138 -0.036526
O -4.619939 1.882748 1.648083
C 1.094436 0.469412 1.159839
C 1.852504 1.540164 0.317474
C 2.494226 0.888337 -0.930831
C 3.325212 -0.323360 -0.507962
C 2.417375 -1.354686 0.156852
C -0.855855 -0.937711 0.609691
C -1.405284 -1.432569 -0.749994
C -2.379576 -0.420925 -1.389702
C -3.423500 0.067840 -0.363052
C -2.742686 0.544260 0.940149
C 0.686346 0.910593 2.547642
C 3.147629 -2.570866 0.749583
C -3.758416 0.812490 2.061869
H 2.607926 2.078918 0.935440
H 1.710589 0.636478 -1.687016
H 4.143895 -0.004282 0.184160
H 1.574914 -1.676392 -0.513165
H -0.318364 -1.704981 1.208635
H -1.900734 -2.426826 -0.633825
H -1.840961 0.433477 -1.858851
H -4.189930 -0.716649 -0.172729
H -2.099200 1.431898 0.742837
H 0.434017 1.979623 2.566384
H -0.199588 0.356749 2.899001
H 1.488797 0.731324 3.277143
H 2.728134 -2.827872 1.746590
H 4.237656 -2.426009 0.839039
H -3.259573 1.052429 3.016256
H -4.452070 -0.036543 2.219091
H 0.152616 2.172917 -0.514206
H 3.052679 2.665133 -1.659565
H 4.526618 0.100302 -2.559115
H -0.509847 -1.949236 -2.449926
H -3.709512 -0.619951 -2.863082
H -4.722390 1.587206 -0.369181
H 3.299832 -3.659485 -0.917806
H -4.160934 2.746907 1.736596


%chk=000194282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194282

0 1
S 4.046135 -1.190368 -2.207009
O 1.893421 -0.787854 1.349326
O -0.048057 0.251554 0.304041
O -2.013962 -0.422260 1.549537
O 1.167206 2.654328 -0.005012
O 3.498484 1.813247 -1.547530
O -0.425069 -1.831811 -1.512305
O -2.986498 -1.059997 -2.504009
O -4.293336 1.099624 -1.067194
O 3.470375 -3.689454 -0.329656
O -4.943348 1.886411 1.528719
C 1.163109 0.450452 1.171030
C 1.981115 1.481699 0.352455
C 2.572167 0.858186 -0.930102
C 3.362714 -0.408013 -0.601436
C 2.468684 -1.435396 0.118571
C -0.927760 -0.847751 0.655900
C -1.522561 -1.423469 -0.644585
C -2.430926 -0.390050 -1.323504
C -3.531596 0.065572 -0.359829
C -2.901353 0.603864 0.948437
C 0.783922 0.930509 2.570180
C 3.224156 -2.660117 0.678422
C -3.957500 0.895661 2.027587
H 2.797791 1.880608 0.978062
H 1.742720 0.604392 -1.623124
H 4.233204 -0.149292 0.029190
H 1.641866 -1.762208 -0.541900
H -0.376041 -1.610827 1.229695
H -2.145231 -2.300946 -0.367422
H -1.836370 0.495290 -1.631424
H -4.183380 -0.801687 -0.111854
H -2.313950 1.518496 0.719076
H 0.324111 1.930722 2.507056
H 0.069809 0.234214 3.038194
H 1.688083 0.990161 3.199008
H 2.584704 -3.142894 1.434466
H 4.164950 -2.328841 1.168061
H -3.475442 1.242153 2.960514
H -4.541469 -0.013329 2.243782
H 0.315809 2.295331 -0.374720
H 3.018419 2.678242 -1.628492
H 4.834804 -0.097319 -2.520293
H -0.818569 -2.095260 -2.384279
H -3.655093 -0.450604 -2.909567
H -4.917346 1.502970 -0.397523
H 4.099208 -3.328789 -1.011045
H -4.599010 2.802445 1.674504


