%chk=000290124.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290124

0 1
S 3.112219 0.455613 0.287649
S 2.051000 2.627143 0.675144
O -0.229206 1.417207 1.455786
O 0.412446 -1.853041 1.768654
O -0.998413 -0.839573 -1.262997
O -3.111442 1.262400 0.664161
O 0.886201 -3.354908 0.138387
O -0.018745 0.175466 -3.031496
O -2.501937 3.344467 0.009645
C -0.591898 0.135007 0.864741
C 0.683613 -0.738341 0.862217
C 1.785043 0.106346 1.503557
C 1.156603 1.465537 1.789545
C -1.141806 0.421903 -0.546407
C -2.651662 0.706359 -0.590606
C 4.003078 -1.148461 0.330717
C 0.759555 3.524735 -0.254385
C 0.532598 -3.138005 1.273955
C -0.330216 -0.851980 -2.485512
C 5.113709 -1.027689 -0.691490
C 0.838367 3.145501 -1.713767
C 0.175139 -4.098516 2.350362
C -2.933128 2.622710 0.875291
C -0.130233 -2.267789 -2.878030
C -3.364637 2.944230 2.260131
H -1.378274 -0.268895 1.543763
H 0.942959 -1.148288 -0.142635
H 2.191072 -0.386728 2.413446
H 1.197863 1.820190 2.837696
H -0.542613 1.225070 -1.061234
H -2.912089 1.389929 -1.420018
H -3.238779 -0.231027 -0.659741
H 3.312780 -1.974312 0.082601
H 4.401834 -1.336035 1.341072
H 0.951154 4.604020 -0.098208
H -0.246944 3.312231 0.170477
H 4.726495 -0.834971 -1.702011
H 5.811410 -0.213442 -0.451231
H 5.702774 -1.952838 -0.743887
H 1.847973 3.252916 -2.130613
H 0.533033 2.094958 -1.892439
H 0.168307 3.772343 -2.319555
H -0.708375 -4.693156 2.065104
H 0.997717 -4.809237 2.531863
H -0.055454 -3.597892 3.305449
H 0.300849 -2.860712 -2.041747
H 0.552435 -2.350084 -3.737645
H -1.078395 -2.759375 -3.143723
H -4.055374 2.192308 2.673245
H -3.853966 3.929200 2.305090
H -2.487343 2.978405 2.930528


%chk=000290124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290124

0 1
S 3.654702 0.102791 0.484406
S 1.518373 2.217787 -0.848474
O -0.182839 1.340025 1.240574
O 0.894128 -2.050106 1.118142
O -1.439900 -1.269678 -1.116232
O -3.075708 1.166464 1.141719
O 1.136318 -3.167816 -0.929496
O -1.782389 -0.264086 -3.197531
O -2.651592 3.101343 -0.086770
C -0.515843 -0.040018 0.758569
C 0.851263 -0.722801 0.459098
C 1.887373 0.216321 1.122577
C 1.235292 1.594401 0.924910
C -1.457592 0.072862 -0.460563
C -2.934065 0.357290 -0.094115
C 4.296778 -1.277788 1.632573
C 0.647775 3.905448 -0.688443
C 1.009307 -3.197004 0.312037
C -1.565529 -1.293210 -2.525895
C 5.785846 -1.505345 1.337350
C 0.744838 4.644122 -2.029876
C 0.938613 -4.436649 1.176545
C -2.873226 2.547549 1.012699
C -1.393985 -2.703109 -3.034563
C -2.942870 3.215528 2.364360
H -1.014492 -0.553014 1.598989
H 1.044603 -0.849606 -0.618556
H 1.912745 -0.000873 2.206433
H 1.577472 2.370833 1.625320
H -1.064985 0.824447 -1.166650
H -3.443805 0.861802 -0.932235
H -3.436041 -0.590436 0.158813
H 3.704033 -2.187831 1.446113
H 4.137217 -0.947660 2.674253
H 1.158308 4.460601 0.118804
H -0.400379 3.713914 -0.410290
H 5.941685 -1.824997 0.291739
H 6.372878 -0.585311 1.507315
H 6.187533 -2.295077 1.998863
H 1.794894 4.815183 -2.327182
H 0.243250 4.075728 -2.832649
H 0.244313 5.626786 -1.949489
H -0.111013 -4.621038 1.469142
H 1.307832 -5.304710 0.611256
H 1.521128 -4.303446 2.102488
H -0.408239 -3.087084 -2.718804
H -1.480332 -2.714643 -4.130412
H -2.160534 -3.364034 -2.593052
H -3.751106 2.785204 2.977045
H -3.087617 4.298847 2.241668
H -1.987123 3.032992 2.888375


