%chk=000256927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256927

0 1
S 2.496008 -1.146606 1.161258
O 1.166518 -1.473830 0.200003
O -0.376280 0.434858 -0.840223
O -2.299069 2.609664 -0.580823
O 3.469308 -2.174643 0.880509
O 2.007766 -0.964320 2.512491
O -4.985564 1.867409 0.179854
C -1.046140 -2.238294 -0.335665
C 0.029066 -2.154442 0.779677
C -0.461384 -2.331047 -1.755934
C 0.415777 -3.540279 1.319451
C 0.584289 -3.440154 -1.946582
C 1.169922 -4.433505 0.329163
C 0.449354 -4.648823 -1.009366
C -2.032706 -1.093983 -0.224728
C -1.681393 0.261532 -0.472978
C -3.350842 -1.383861 0.140713
C -2.649668 1.281669 -0.340074
C -4.331092 -0.393298 0.236027
C -3.979514 0.935491 -0.015350
C 2.990953 0.354054 0.480841
C 2.682637 1.550872 1.136892
C 3.693708 0.381136 -0.729132
C 0.084840 1.760077 -1.210733
C 3.070092 2.772778 0.586135
C 4.080219 1.599663 -1.286906
C 3.772269 2.805232 -0.631248
C -2.300949 3.416740 0.633869
C -5.216304 2.777104 -0.930864
C 4.203305 4.105193 -1.222042
H -1.612863 -3.194099 -0.155235
H -0.330124 -1.509108 1.618983
H 0.011652 -1.355762 -2.008530
H -1.295267 -2.467810 -2.469304
H 1.031846 -3.420543 2.236921
H -0.503710 -4.054731 1.663302
H 0.547707 -3.785239 -2.997084
H 1.592516 -2.995115 -1.805389
H 1.357750 -5.414165 0.808192
H 2.178060 -3.996731 0.142418
H -0.615521 -4.893838 -0.842142
H 0.884934 -5.537983 -1.506646
H -3.633331 -2.418915 0.345767
H -5.356824 -0.636101 0.502432
H 2.139613 1.528848 2.089903
H 3.947322 -0.555165 -1.238998
H 0.116364 2.401629 -0.326725
H -0.557864 2.191020 -1.985194
H 1.093285 1.539750 -1.583726
H 2.835931 3.699553 1.105974
H 4.629131 1.615673 -2.226775
H -2.046019 4.409967 0.254036
H -3.296809 3.402859 1.091916
H -1.546748 3.041869 1.329758
H -4.284540 3.258229 -1.250516
H -5.917667 3.497118 -0.496595
H -5.674591 2.218093 -1.751481
H 5.276155 4.278682 -1.038667
H 4.058304 4.134943 -2.311585
H 3.665681 4.966384 -0.802748


%chk=000256927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256927

0 1
S 1.699877 -0.313995 1.710808
O 1.147149 -1.394703 0.289337
O -0.742358 0.817262 -1.064482
O -2.624749 2.641279 -0.127919
O 2.591048 -1.166998 2.764685
O 0.397752 0.488312 2.261158
O -5.128702 1.685398 1.003468
C -1.069327 -2.157320 -0.573194
C -0.042520 -2.232765 0.613573
C -0.445410 -2.116205 -1.994622
C 0.402066 -3.669582 0.973455
C 0.759577 -3.065683 -2.232296
C 1.268207 -4.403943 -0.075899
C 0.707121 -4.444718 -1.521533
C -2.128999 -1.080005 -0.308888
C -1.946104 0.317512 -0.502418
C -3.356665 -1.487912 0.281145
C -2.921163 1.254764 -0.056145
C -4.362432 -0.577762 0.657884
C -4.148813 0.809013 0.499276
C 2.825783 0.802377 0.719847
C 2.242871 1.694709 -0.192620
C 4.205483 0.714300 0.961554
C -0.930642 1.561247 -2.334184
C 3.112487 2.557651 -0.896025
C 5.048001 1.589710 0.243406
C 4.517600 2.522386 -0.688164
C -1.962479 3.120667 1.117836
C -5.612901 2.740628 0.084832
C 5.437244 3.475194 -1.429431
H -1.610569 -3.122783 -0.495797
H -0.540509 -1.788977 1.501064
H -0.118419 -1.087018 -2.209595
H -1.259638 -2.359595 -2.707090
H 0.962904 -3.626120 1.927566
H -0.519698 -4.254911 1.173928
H 0.857174 -3.216818 -3.325804
H 1.682538 -2.552641 -1.900158
H 1.428379 -5.439178 0.287063
H 2.266020 -3.923915 -0.109300
H -0.326821 -4.849722 -1.525724
H 1.319361 -5.164293 -2.100662
H -3.528056 -2.559786 0.437604
H -5.306884 -0.914541 1.095151
H 1.158695 1.691716 -0.354668
H 4.597542 -0.006070 1.686512
H -1.559995 2.451705 -2.167478
H -1.384619 0.901264 -3.097794
H 0.082349 1.854356 -2.654584
H 2.692984 3.267126 -1.618716
H 6.130643 1.547131 0.409175
H -1.664870 4.161267 0.915152
H -2.678067 3.083207 1.959929
H -1.079444 2.496734 1.347549
H -4.781655 3.382505 -0.251998
H -6.341370 3.319289 0.673119
H -6.115731 2.281335 -0.788124
H 5.723979 4.327130 -0.783165
H 6.371040 2.975107 -1.741835
H 4.953233 3.891376 -2.329268


