%chk=000271678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271678

0 1
S -0.325104 1.345974 -0.591952
O -3.713491 2.181511 1.179123
O -0.896319 -1.695200 0.798339
O -0.437854 2.740343 -0.959775
O -1.048254 0.332674 -1.344901
O -4.936120 -1.443432 -1.356403
O 5.416554 -2.109266 0.614405
N -1.007240 1.207966 1.000771
N -4.333607 0.381638 -0.079149
N -2.956323 -1.615237 -0.175732
N 5.442073 0.122348 0.019858
C -2.160263 0.327957 1.246184
C -3.451538 1.065708 0.786291
C -1.899703 -1.049216 0.580230
C -2.326147 0.057763 2.748409
C -4.125589 -0.925622 -0.618122
C 1.323662 0.956976 -0.392144
C -5.543966 1.105116 -0.566730
C -2.693374 -2.931690 -0.829851
C 1.731180 -0.336306 -0.035128
C 2.291287 1.953295 -0.603758
C 3.081914 -0.641048 0.109655
C 3.643346 1.670839 -0.465830
C 4.046936 0.359600 -0.105951
C 6.060433 -1.113745 0.374635
C 7.558468 -1.037841 0.415516
H -1.037775 2.049743 1.596665
H -2.536094 0.981819 3.306650
H -3.145167 -0.643070 2.952979
H -1.403763 -0.375153 3.168877
H -5.827104 1.894224 0.153678
H -6.387261 0.401874 -0.686211
H -5.340421 1.578026 -1.543367
H -2.122378 -2.791783 -1.765410
H -3.647563 -3.434259 -1.068244
H -2.103309 -3.571775 -0.150372
H 0.983505 -1.127882 0.137382
H 1.976095 2.968003 -0.884580
H 3.385600 -1.657377 0.390611
H 4.378012 2.453613 -0.635881
H 6.049193 0.925299 -0.168383
H 7.997634 -0.779710 -0.558199
H 7.974289 -2.022121 0.697574
H 7.928246 -0.316878 1.157642


%chk=000271678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271678

0 1
S -0.346776 1.506774 -0.374565
O -3.583110 2.278378 0.967237
O -0.936683 -1.754372 0.844900
O -0.381224 3.115756 -0.622121
O -1.168049 0.502542 -1.375810
O -5.017062 -1.484471 -1.376791
O 5.607922 -2.169253 0.600455
N -1.035587 1.083670 1.364111
N -4.331783 0.386243 -0.176535
N -3.012758 -1.644489 -0.177377
N 5.553518 0.085167 -0.059572
C -2.272526 0.257911 1.276707
C -3.436701 1.064508 0.655320
C -1.981001 -1.094700 0.600807
C -2.656065 -0.052814 2.762624
C -4.165631 -0.950154 -0.621349
C 1.459570 1.012244 -0.228672
C -5.498835 1.117738 -0.731688
C -2.783723 -3.006802 -0.721566
C 1.808411 -0.293568 0.150922
C 2.399855 2.009513 -0.539626
C 3.176588 -0.627767 0.216705
C 3.761563 1.666368 -0.475577
C 4.160840 0.351601 -0.101232
C 6.212085 -1.110633 0.271430
C 7.734378 -1.010039 0.192438
H -1.292970 2.022389 1.744647
H -2.867409 0.888296 3.297991
H -3.556105 -0.692197 2.804473
H -1.812879 -0.575790 3.240357
H -5.512384 2.114861 -0.269783
H -6.425055 0.566802 -0.506681
H -5.397657 1.208140 -1.825054
H -1.977311 -2.975914 -1.472999
H -3.717817 -3.349809 -1.186163
H -2.479021 -3.677568 0.096213
H 1.041175 -1.029873 0.414160
H 2.070040 3.014870 -0.818964
H 3.492041 -1.629077 0.512930
H 4.517638 2.423898 -0.716130
H 6.157984 0.872710 -0.307619
H 8.067279 -0.785039 -0.837890
H 8.165252 -1.973655 0.498597
H 8.122682 -0.218696 0.860139


