%chk=000279365.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279365

0 1
S 0.047299 -0.497517 -0.886214
O -1.451984 0.631374 2.547092
O -3.664122 0.766434 -1.522041
O -2.746131 3.600648 0.324876
O -1.349250 3.889720 -1.398889
N -2.321408 0.926386 0.393486
C 1.892363 -0.423964 -0.665007
C -1.240840 1.778031 -0.126178
C -0.561958 1.144072 -1.338735
C 2.536830 -0.332622 -2.032824
C 2.112453 -1.776390 -0.005452
C 2.218272 0.737121 0.246709
C -2.307727 0.390989 1.737594
C -3.453981 0.464954 -0.377826
C -3.543931 -0.454810 1.820215
C -4.222421 -0.410407 0.569601
C 2.243676 0.739551 -2.893876
C 2.897996 -1.900917 1.150799
C 3.218621 1.665835 -0.074320
C 3.459726 -1.300705 -2.460314
C 1.533213 -2.929865 -0.565809
C 1.527590 0.877532 1.465124
C -1.755211 3.171356 -0.517758
C -4.035655 -1.194199 2.874005
C -5.395602 -1.104623 0.368370
C 2.825196 0.820034 -4.160042
C 3.073227 -3.148550 1.755893
C 3.495933 2.735195 0.784417
C 4.044476 -1.217874 -3.727890
C 1.704834 -4.173151 0.048229
C 1.805734 1.945575 2.318880
C 3.725494 -0.162339 -4.584922
C 2.470787 -4.286336 1.212367
C 2.787914 2.882491 1.978842
C -5.240817 -1.908542 2.670150
C -5.903522 -1.864785 1.449340
H -0.491085 1.942094 0.715165
H 0.245052 1.802372 -1.736071
H -1.283067 1.005577 -2.179041
H 1.558831 1.532557 -2.576443
H 3.382462 -1.025942 1.587361
H 3.799853 1.562852 -0.991934
H 3.737225 -2.130003 -1.807708
H 0.959556 -2.875428 -1.494621
H 0.764922 0.147388 1.760193
H -3.518008 -1.232231 3.833462
H -5.918266 -1.073852 -0.588765
H 2.576488 1.652137 -4.817482
H 3.681772 -3.230800 2.655132
H 4.270340 3.452771 0.517250
H 4.752714 -1.982154 -4.044721
H 1.241268 -5.057508 -0.386273
H 1.252984 2.043987 3.253709
H 4.175725 -0.101841 -5.573478
H 2.601063 -5.255510 1.689373
H 3.001346 3.716786 2.644096
H -5.647556 -2.501060 3.491438
H -6.831213 -2.422806 1.311138
H -3.079482 4.510116 0.085126


%chk=000279365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279365

0 1
S -0.056583 -0.801660 -0.846031
O -1.613436 0.428124 2.670509
O -3.824247 1.198284 -1.413570
O -2.587465 3.623498 0.476611
O -0.951932 3.821973 -1.161013
N -2.425708 0.936149 0.489524
C 1.900467 -0.613833 -0.674037
C -1.249840 1.650853 -0.009433
C -0.601688 0.964905 -1.234334
C 2.582485 -0.443036 -2.054284
C 2.341709 -1.980573 -0.095075
C 2.137593 0.578157 0.269178
C -2.516095 0.377197 1.801536
C -3.631163 0.765923 -0.249637
C -3.881240 -0.232640 1.878421
C -4.549285 0.001208 0.651409
C 1.880539 -0.295708 -3.273327
C 3.260848 -2.084414 0.979061
C 2.728311 1.786521 -0.180556
C 4.005210 -0.453758 -2.094554
C 1.902990 -3.176136 -0.725603
C 1.682844 0.513665 1.616875
C -1.564017 3.122208 -0.329212
C -4.499839 -0.928120 2.927513
C -5.858027 -0.453248 0.432483
C 2.574301 -0.156431 -4.498888
C 3.712734 -3.347867 1.424305
C 2.881573 2.889600 0.692926
C 4.698652 -0.314884 -3.313815
C 2.344413 -4.437248 -0.275146
C 1.838018 1.609412 2.488849
C 3.985149 -0.162604 -4.526596
C 3.253356 -4.530645 0.804818
C 2.445029 2.805445 2.032449
C -5.823836 -1.393574 2.715873
C -6.492543 -1.159622 1.487354
H -0.523430 1.654050 0.828976
H 0.271957 1.548670 -1.559572
H -1.319585 0.904840 -2.067404
H 0.786487 -0.318895 -3.269627
H 3.627730 -1.179175 1.472580
H 3.073964 1.872532 -1.215050
H 4.570687 -0.583069 -1.165036
H 1.216786 -3.115724 -1.577821
H 1.168118 -0.385584 1.970256
H -3.973985 -1.102209 3.871349
H -6.364702 -0.266303 -0.519399
H 2.006688 -0.046706 -5.429851
H 4.424137 -3.404014 2.256109
H 3.333489 3.814556 0.317897
H 5.794446 -0.330660 -3.318649
H 1.985856 -5.346138 -0.771365
H 1.464689 1.534588 3.515508
H 4.522190 -0.057635 -5.475877
H 3.601118 -5.509591 1.153263
H 2.560012 3.660384 2.708087
H -6.339209 -1.941897 3.511636
H -7.514282 -1.530519 1.353073
H -2.742438 4.580585 0.251128


