%chk=000247878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247878

0 1
S 2.061439 -3.433965 -0.267457
S 3.906607 -0.032297 0.832875
O -1.536842 -0.220577 -0.049792
O -0.115019 1.010915 -1.382411
O 0.446379 -3.128918 0.133812
O 2.870449 1.108757 0.135483
O 2.610308 -2.188787 -0.787169
O 2.055849 -4.553398 -1.168405
O 3.077345 -1.107932 1.354793
O 4.705731 0.689917 1.783785
C -0.226183 -0.820956 0.089232
C 0.744465 0.191570 -0.555188
C -1.467944 0.946656 -0.900259
C -0.301409 -2.180783 -0.627891
C 1.478352 1.095291 0.450234
C -1.809783 2.190794 -0.078155
C -3.290035 2.443302 -0.039703
C -4.154913 1.440262 0.427899
C -3.813373 3.675949 -0.453997
C -5.530132 1.672288 0.480316
C -5.192291 3.902628 -0.397249
C 2.629656 -3.889713 1.287532
C 4.833641 -0.454331 -0.552870
C -6.052051 2.904138 0.068833
H -0.078816 -0.965367 1.182246
H 1.467138 -0.264919 -1.276664
H -2.111034 0.770917 -1.782546
H -1.342741 -2.571864 -0.588430
H 0.029475 -2.146451 -1.679485
H 1.180463 2.157119 0.301628
H 1.315597 0.807505 1.503407
H -1.256770 3.056453 -0.501515
H -1.430566 2.074228 0.960283
H -3.743331 0.479868 0.745890
H -3.152270 4.458495 -0.819973
H -6.198197 0.892616 0.842904
H -5.595765 4.861454 -0.718692
H 2.987897 -3.013219 1.885468
H 3.457513 -4.611834 1.277863
H 1.847725 -4.340642 1.923547
H 5.841898 -0.828691 -0.330442
H 4.976552 0.386883 -1.253435
H 4.337677 -1.241702 -1.172620
H -7.124094 3.083145 0.111618


%chk=000247878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247878

0 1
S 1.534680 -3.399106 -0.526167
S 4.638832 -0.123549 0.538753
O -1.619199 0.314507 0.929786
O 0.186023 1.654982 0.295327
O 0.624615 -2.688083 0.948153
O 3.119496 1.001363 0.618234
O 2.145493 -2.174505 -1.405825
O 0.597131 -4.476542 -1.280046
O 4.248106 -1.550471 1.224657
O 5.914996 0.696734 1.077916
C -0.400074 -0.482353 1.198701
C 0.768911 0.312497 0.527356
C -1.217781 1.405253 -0.011234
C -0.590707 -1.896486 0.622469
C 2.004141 0.450967 1.410866
C -2.033380 2.669638 0.246653
C -3.467471 2.602515 -0.266156
C -4.368361 1.611485 0.206929
C -3.932910 3.545829 -1.216732
C -5.700462 1.570394 -0.260061
C -5.266781 3.506835 -1.684934
C 2.869823 -4.219533 0.534416
C 4.702345 -0.300072 -1.347717
C -6.156103 2.517928 -1.206921
H -0.281217 -0.533666 2.296377
H 1.047827 -0.151437 -0.441413
H -1.326388 1.025629 -1.051079
H -1.446366 -2.410074 1.092142
H -0.762767 -1.848589 -0.470402
H 1.811908 1.151330 2.243744
H 2.284284 -0.545409 1.811781
H -1.494588 3.501790 -0.241883
H -2.005350 2.852590 1.337151
H -4.015648 0.873982 0.935899
H -3.248503 4.317792 -1.590396
H -6.384562 0.800428 0.115041
H -5.609464 4.245932 -2.418068
H 3.433397 -3.382504 0.976956
H 3.468338 -4.824935 -0.160768
H 2.327796 -4.827822 1.269733
H 5.654698 -0.799413 -1.575728
H 4.656690 0.726022 -1.736166
H 3.817968 -0.903206 -1.605605
H -7.190820 2.486138 -1.566438


