%chk=000285619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285619

0 1
S -0.106470 -1.813751 0.644125
O 4.253099 0.788538 1.381432
O 0.790022 0.547610 -1.534387
O 0.572087 -0.919732 1.569493
O -0.180018 -3.225457 0.986418
N 2.820256 -0.245959 -0.857290
C 3.377185 1.140039 -0.876943
C 3.580558 -1.141704 0.057745
C 3.495560 1.694405 0.552963
C 3.651435 -0.520224 1.464711
C 0.807978 -1.733932 -0.885269
C 1.443073 -0.386127 -1.081436
C -1.680554 -1.243616 0.271547
C -2.777576 -2.096305 0.462347
C -1.892619 0.063196 -0.184473
C -4.284702 -0.341921 -0.266841
C -4.070726 -1.654243 0.194386
C -3.185218 0.512596 -0.454602
C -5.668596 0.142697 -0.538562
H 2.729545 1.797058 -1.503602
H 4.376671 1.093150 -1.363090
H 4.607398 -1.253097 -0.362866
H 3.133665 -2.156081 0.092561
H 2.505252 1.863457 1.013975
H 4.099363 2.617512 0.596185
H 4.342634 -1.061009 2.132469
H 2.646107 -0.439516 1.934764
H 1.544796 -2.564941 -0.935327
H 0.151324 -1.939055 -1.760881
H -2.616085 -3.119969 0.825285
H -1.043324 0.743139 -0.346726
H -4.915694 -2.323017 0.346439
H -3.337893 1.530037 -0.811441
H -6.095698 0.618300 0.359156
H -5.702178 0.891593 -1.342648
H -6.352457 -0.667669 -0.827018


%chk=000285619-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285619

0 1
S -0.100347 -1.763039 0.646960
O 4.624262 0.765079 1.362139
O 0.956353 0.634773 -1.804504
O 0.595810 -0.688036 1.667474
O -0.170822 -3.349226 1.046639
N 2.842320 -0.181757 -0.695020
C 3.538915 1.120201 -0.837367
C 3.562155 -1.144278 0.173473
C 3.833188 1.710532 0.556625
C 3.869502 -0.486802 1.540518
C 0.883056 -1.664964 -1.079632
C 1.568518 -0.320512 -1.214137
C -1.855178 -1.197928 0.236155
C -2.879790 -2.141528 0.405108
C -2.072737 0.125526 -0.183139
C -4.485087 -0.398259 -0.281074
C -4.203251 -1.724608 0.140895
C -3.405707 0.511614 -0.444904
C -5.914281 0.047744 -0.529056
H 2.893944 1.788989 -1.430230
H 4.492630 0.952767 -1.374668
H 4.510736 -1.428660 -0.323495
H 2.963210 -2.052086 0.343877
H 2.881127 1.946759 1.075966
H 4.449887 2.620188 0.473735
H 4.518793 -1.141375 2.144230
H 2.915816 -0.297260 2.071695
H 1.513146 -2.565288 -1.041167
H 0.085274 -1.750675 -1.830245
H -2.641257 -3.158314 0.735022
H -1.241550 0.823546 -0.323531
H -5.025346 -2.438667 0.264954
H -3.607004 1.534177 -0.783742
H -6.353397 0.481611 0.390134
H -5.967674 0.822014 -1.313919
H -6.557012 -0.796255 -0.833169


