%chk=000256304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256304

0 1
S 3.251493 1.497235 -1.381950
O -1.324390 1.874783 0.732026
O 3.079715 -0.912048 0.758520
O -1.005459 4.134431 0.522638
O 2.460230 -3.010521 1.441983
O 2.180971 1.742243 -0.071999
O -0.492606 -0.687986 0.492604
O 3.277979 2.758603 -2.064498
O 2.799639 0.314542 -2.072818
O -1.298875 -0.353314 -1.598542
C 0.840822 1.254575 -0.151020
C 0.843972 -0.275766 0.087242
C 0.088726 2.063901 0.934896
C 1.735561 -0.748582 1.256246
C 0.302196 3.585982 0.802378
C 1.355747 -2.145547 1.789527
C -1.915672 3.077387 0.145815
C 3.370673 -2.330240 0.549415
C -1.981410 2.933144 -1.361645
C -3.232516 3.315319 0.853768
C 4.780351 -2.572134 1.049955
C 3.093815 -2.706006 -0.890757
C -1.512104 -0.645826 -0.447018
C 4.703019 1.225244 -0.492183
C -2.782272 -1.030632 0.215360
C -3.608451 -1.989266 -0.389506
C -3.156722 -0.414896 1.417310
C -4.813280 -2.338343 0.224354
C -4.366507 -0.767967 2.021404
C -5.190383 -1.729690 1.427765
H 0.402705 1.465940 -1.158928
H 1.114778 -0.802118 -0.864835
H 0.284744 1.671535 1.952270
H 1.827423 0.024626 2.046504
H 0.970891 3.874103 -0.028108
H 0.622760 4.073318 1.736184
H 1.283254 -2.194130 2.887524
H 0.448533 -2.572357 1.325890
H -2.842535 3.456466 -1.791417
H -2.054204 1.874406 -1.661827
H -1.086934 3.348011 -1.846017
H -3.974684 2.553706 0.585869
H -3.638691 4.303632 0.600943
H -3.100178 3.288713 1.944198
H 4.949362 -2.059435 2.007077
H 4.942871 -3.644796 1.229467
H 5.534657 -2.224241 0.337468
H 3.101368 -1.813292 -1.547257
H 3.824909 -3.415099 -1.290795
H 2.104881 -3.171148 -1.001466
H 5.095367 2.126374 0.004600
H 5.530406 0.827857 -1.097469
H 4.554518 0.479785 0.325132
H -3.312130 -2.451779 -1.332280
H -2.500684 0.345175 1.859322
H -5.460910 -3.083350 -0.235729
H -4.665225 -0.294102 2.955152
H -6.131914 -2.006121 1.902357


%chk=000256304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256304

0 1
S 3.291136 1.680491 -1.501534
O -1.445684 1.938765 0.544340
O 3.170571 -0.951942 0.687981
O -1.061219 4.249043 0.610195
O 2.762232 -2.930542 1.863292
O 2.223514 1.714871 0.061445
O -0.532337 -0.696390 0.712798
O 3.274642 3.163701 -2.145769
O 2.858960 0.415156 -2.417634
O -1.341082 -0.660381 -1.473236
C 0.847724 1.206602 -0.113328
C 0.813509 -0.321605 0.191280
C -0.001764 2.111978 0.819251
C 1.808849 -0.806424 1.269280
C 0.272788 3.624287 0.555948
C 1.464417 -2.234458 1.798516
C -1.995612 3.250930 0.060793
C 3.552709 -2.404216 0.740139
C -2.018082 3.269444 -1.476899
C -3.359488 3.462659 0.707215
C 5.028354 -2.503893 1.112853
C 3.194411 -3.082563 -0.592752
C -1.555660 -0.809475 -0.246630
C 4.904668 1.365838 -0.559142
C -2.863325 -1.161942 0.369374
C -3.944599 -1.471123 -0.496424
C -3.051647 -1.189145 1.775122
C -5.203007 -1.811253 0.040342
C -4.312775 -1.528795 2.307767
C -5.389054 -1.842000 1.443396
H 0.501874 1.363432 -1.153266
H 0.995355 -0.868888 -0.752175
H 0.166461 1.838511 1.876190
H 1.893708 -0.073541 2.090251
H 0.753696 3.782418 -0.428613
H 0.882924 4.099997 1.336502
H 1.050889 -2.230976 2.817028
H 0.765225 -2.759121 1.121755
H -2.510454 4.189632 -1.836197
H -2.573111 2.393240 -1.853186
H -0.998687 3.236535 -1.898335
H -4.067611 2.689894 0.363764
H -3.754493 4.455870 0.433458
H -3.263691 3.402389 1.802751
H 5.218757 -1.936056 2.037454
H 5.298795 -3.559981 1.281407
H 5.661003 -2.107694 0.299764
H 3.657093 -2.532083 -1.429572
H 3.558161 -4.124519 -0.597575
H 2.103908 -3.094108 -0.759265
H 5.072418 2.271580 0.038476
H 5.679210 1.211682 -1.323596
H 4.681401 0.479871 0.053088
H -3.777301 -1.439795 -1.578191
H -2.215906 -0.931102 2.430707
H -6.035684 -2.052451 -0.629058
H -4.460110 -1.545971 3.393025
H -6.367380 -2.106081 1.860527


