%chk=000281411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281411

0 1
S -5.120905 -0.711636 -1.692777
O -5.407968 -1.623952 -2.785372
O -6.061498 0.322886 -1.363479
O 2.998182 -0.529157 1.859174
O 4.792512 1.237417 -2.320617
O 1.744373 3.863487 -0.878750
N -5.038247 -1.864233 -0.377757
N 3.619442 0.611124 -0.432316
N 1.290026 1.303942 -1.818449
N 0.297686 1.556186 -2.521691
N -4.247250 -0.254342 1.139156
C -3.535255 -0.083024 -1.879808
C 2.540078 2.007985 -2.196572
C -2.613222 -0.762926 -2.687596
C -3.171464 1.110977 -1.245195
C -0.971006 0.936942 -2.216252
C -1.324211 -0.262997 -2.860950
C -1.884086 1.628626 -1.405234
C 4.634746 -0.161242 0.219961
C 3.762051 1.224298 -1.667251
C 2.584782 3.456263 -1.636186
C 4.300373 -0.774726 1.468232
C -4.708455 -1.536102 0.941322
C 5.925218 -0.336752 -0.285277
C 5.232764 -1.529869 2.173634
C 6.862291 -1.098783 0.427921
C 3.734202 4.260419 -2.140850
C 6.521987 -1.687962 1.642226
C -4.822963 -2.476438 1.998679
C -4.464825 -2.068387 3.278988
C -3.910428 0.107053 2.403957
C -4.002277 -0.763322 3.497869
C 2.542785 -1.119336 3.100338
H 2.672017 2.076316 -3.318289
H -2.906801 -1.690820 -3.194794
H -3.897901 1.643292 -0.614536
H -5.377046 -2.821847 -0.543359
H -0.605055 -0.787776 -3.487867
H -1.593359 2.556423 -0.910402
H 2.700081 0.620971 0.039667
H 6.208670 0.119008 -1.242420
H 4.980749 -1.994994 3.121646
H 7.863593 -1.224995 0.018457
H 4.640389 3.660453 -2.339940
H 4.012871 5.052437 -1.427164
H 3.479645 4.767506 -3.085123
H 7.255549 -2.277969 2.190494
H -5.187390 -3.480992 1.812882
H -4.546152 -2.764542 4.115235
H -3.555685 1.138811 2.521020
H -3.727297 -0.431014 4.493326
H 2.588812 -2.210623 3.041167
H 3.123326 -0.727898 3.940836
H 1.502346 -0.769567 3.141986


%chk=000281411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281411

0 1
S -4.875229 -0.267269 -0.981073
O -5.717720 -0.751567 -2.287802
O -5.462614 0.850129 0.031284
O 2.092018 -0.139260 1.365293
O 5.176147 1.422046 -2.176324
O 2.163075 4.314159 -1.959715
N -4.616514 -1.915870 -0.137298
N 3.517271 0.871086 -0.590156
N 1.529222 1.623734 -2.080285
N 0.641463 1.341836 -2.979449
N -3.407777 -1.032961 1.685341
C -3.145961 0.226799 -1.548007
C 2.833094 2.035256 -2.631370
C -2.790519 -0.110427 -2.863582
C -2.331296 0.950983 -0.660533
C -0.645169 0.986098 -2.431708
C -1.514583 0.292560 -3.310557
C -1.056878 1.334484 -1.114825
C 4.250962 0.204109 0.420304
C 3.974258 1.402541 -1.772327
C 2.974944 3.601788 -2.592600
C 3.478845 -0.343956 1.492747
C -4.214557 -2.024008 1.199576
C 5.656874 0.051577 0.428350
C 4.106078 -1.023526 2.555034
C 6.281987 -0.633443 1.495832
C 4.140988 4.144703 -3.391622
C 5.515075 -1.166364 2.553368
C -4.598007 -3.156674 1.978201
C -4.100895 -3.262808 3.289898
C -2.962835 -1.147333 2.968336
C -3.268023 -2.239902 3.807838
C 1.211759 -0.731662 2.374044
H 2.975612 1.712363 -3.682242
H -3.493532 -0.645005 -3.509431
H -2.691105 1.185007 0.344767
H -5.310570 -2.574559 -0.515486
H -1.172705 0.072165 -4.326233
H -0.375388 1.905920 -0.478134
H 2.494248 0.937986 -0.448926
H 6.236803 0.465042 -0.399243
H 3.516802 -1.439816 3.377460
H 7.370849 -0.746994 1.495493
H 5.045889 3.534339 -3.219330
H 4.317240 5.199749 -3.131368
H 3.906426 4.075973 -4.472067
H 6.003622 -1.694066 3.379305
H -5.260374 -3.922513 1.561976
H -4.374351 -4.124783 3.907383
H -2.343890 -0.317518 3.330268
H -2.881258 -2.280090 4.829649
H 1.347616 -1.828880 2.423946
H 1.393189 -0.285267 3.370694
H 0.190195 -0.501314 2.037208


