%chk=000252705.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252705

0 1
S -3.210896 -2.126294 0.204292
S -2.898631 1.423318 -0.826798
O -2.011153 -0.993297 -0.242943
O -2.193612 1.532500 0.693423
O -3.987845 -1.559003 1.275180
O -2.440364 -3.323680 0.488719
O -3.747318 0.253169 -0.971957
O -1.865483 1.686571 -1.797212
C -0.486147 -0.086891 1.428448
C 0.988016 -0.147859 1.924721
C -0.700661 -1.146689 0.322638
C -0.777589 1.320176 0.852368
C 2.045798 -0.026065 0.856924
C -1.407001 -0.354917 2.623505
C 2.553760 1.240871 0.499510
C 2.553501 -1.188136 0.234707
C 3.472398 1.351262 -0.566084
C 3.474325 -1.067395 -0.827091
C 3.909247 0.200016 -1.228905
C 2.174721 2.484262 1.245390
C 2.164121 -2.560912 0.690567
C 3.990511 2.685428 -1.004940
C 3.998144 -2.276624 -1.536837
C -4.114415 -2.357279 -1.247678
C -3.941882 2.808575 -0.649342
H 1.127838 -1.106348 2.476834
H 1.138466 0.639929 2.695315
H -0.027949 -0.973550 -0.542727
H -0.549055 -2.177101 0.698162
H -0.247628 1.490320 -0.105321
H -0.509491 2.112206 1.578293
H -1.224232 0.336203 3.450407
H -2.468467 -0.223077 2.336945
H -1.308655 -1.375277 3.007014
H 4.605231 0.290215 -2.060738
H 3.070295 3.041660 1.557328
H 1.574253 3.158620 0.620005
H 1.605304 2.273639 2.162386
H 1.582591 -2.553438 1.625448
H 3.051855 -3.180789 0.881523
H 1.560836 -3.082519 -0.066036
H 4.660204 2.611576 -1.871347
H 3.168050 3.355794 -1.292356
H 4.555411 3.178407 -0.201717
H 3.179096 -2.887936 -1.941714
H 4.653319 -2.019746 -2.378787
H 4.580235 -2.915206 -0.857421
H -3.883126 -3.298379 -1.764649
H -3.939085 -1.540584 -1.984710
H -5.203493 -2.328734 -1.088735
H -3.942629 3.210803 0.378228
H -4.996466 2.583433 -0.870872
H -3.660056 3.649271 -1.299462


%chk=000252705-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252705

0 1
S -3.286072 -2.535407 0.390832
S -3.052011 1.584939 -0.933480
O -2.115095 -1.183199 -0.218411
O -2.334150 1.574466 0.811439
O -4.217684 -2.041404 1.617964
O -2.386429 -3.875668 0.579926
O -4.311319 0.584402 -1.119581
O -1.824946 1.591609 -1.994804
C -0.557127 -0.146898 1.457338
C 0.964029 -0.166323 1.910563
C -0.765014 -1.225769 0.369424
C -0.887883 1.261599 0.899124
C 2.050884 -0.017731 0.839264
C -1.426510 -0.436217 2.705197
C 2.558678 1.279250 0.489817
C 2.590692 -1.184586 0.197470
C 3.514447 1.409270 -0.562129
C 3.549603 -1.040271 -0.849369
C 3.973356 0.251773 -1.224947
C 2.145447 2.559494 1.206866
C 2.205617 -2.607643 0.584529
C 4.052175 2.767858 -0.981497
C 4.123986 -2.250666 -1.566817
C -4.287365 -2.545500 -1.214446
C -3.789751 3.326173 -0.781103
H 1.102068 -1.114992 2.459245
H 1.067325 0.623178 2.677315
H -0.094223 -1.052098 -0.492047
H -0.570611 -2.242266 0.766891
H -0.410873 1.427588 -0.089407
H -0.525137 2.036551 1.599729
H -1.227644 0.309061 3.498447
H -2.502391 -0.399142 2.467543
H -1.201267 -1.438962 3.114447
H 4.696476 0.357918 -2.043302
H 3.028495 3.196145 1.394608
H 1.446012 3.166696 0.598212
H 1.665472 2.377900 2.180738
H 1.657619 -2.675402 1.535935
H 3.109035 -3.236624 0.684799
H 1.575292 -3.088773 -0.189126
H 4.699931 2.674560 -1.869710
H 3.240255 3.477452 -1.229849
H 4.654198 3.239846 -0.179887
H 3.331260 -2.898699 -1.986403
H 4.780396 -1.939394 -2.397079
H 4.724905 -2.885751 -0.886408
H -3.615790 -2.951423 -1.981684
H -4.529390 -1.483648 -1.381051
H -5.162122 -3.182264 -1.023108
H -4.454806 3.289073 0.091514
H -4.333303 3.510336 -1.718159
H -2.944539 4.010082 -0.633471


