%chk=000229602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229602

0 1
S 1.061680 0.062538 0.175688
O 0.685032 -0.689487 -1.011112
O 1.146789 -0.611013 1.456631
N -0.094102 1.334481 0.383098
C 2.560155 0.938064 -0.182195
C 3.640143 -0.068885 -0.658666
C 2.971137 1.752331 1.037045
C 4.149881 -0.965906 0.471793
C 4.806629 0.674868 -1.322516
C -1.169105 1.451022 -0.637029
C -2.374820 0.592894 -0.326137
C -2.389932 -0.756904 -0.705701
C -3.477752 1.142490 0.341743
C -3.504458 -1.549269 -0.421077
C -4.591442 0.345697 0.623865
C -4.606686 -0.999625 0.242647
H 2.377182 1.651210 -1.029179
H 3.169415 -0.725167 -1.442876
H 2.272993 2.576981 1.233645
H 3.032525 1.137365 1.948453
H 3.964356 2.199938 0.892021
H 4.762371 -1.784741 0.077890
H 4.766883 -0.414422 1.189551
H 3.331845 -1.426108 1.047546
H 5.569201 -0.029940 -1.674865
H 4.476399 1.257602 -2.188675
H 5.299385 1.363640 -0.627319
H -0.481622 1.428781 1.334669
H -0.764921 1.190303 -1.645630
H -1.456791 2.528268 -0.692949
H -1.520228 -1.189135 -1.216795
H -3.472172 2.188404 0.641007
H -3.511875 -2.597883 -0.715060
H -5.447411 0.774020 1.141765
H -5.473882 -1.618809 0.463325


%chk=000229602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229602

0 1
S 1.082473 -0.029269 0.185080
O 0.790140 -0.851591 -1.202641
O 1.104247 -0.803470 1.623049
N -0.185495 1.380424 0.325390
C 2.764782 1.006512 -0.073912
C 3.796444 0.051698 -0.709650
C 3.087315 1.644788 1.273001
C 4.351767 -1.000597 0.277629
C 4.937151 0.896777 -1.338325
C -1.235847 1.331056 -0.749594
C -2.492583 0.552620 -0.384330
C -2.511021 -0.865755 -0.455809
C -3.656604 1.236835 0.050197
C -3.673010 -1.581412 -0.093519
C -4.819873 0.519895 0.413842
C -4.829749 -0.891958 0.342791
H 2.390858 1.739647 -0.811224
H 3.277840 -0.478383 -1.534370
H 2.309009 2.369751 1.565144
H 3.180652 0.885782 2.067737
H 4.048657 2.186524 1.195536
H 4.991365 -1.720194 -0.263553
H 4.968886 -0.528766 1.064565
H 3.541940 -1.566377 0.772414
H 5.650866 0.228756 -1.853382
H 4.553692 1.620531 -2.081214
H 5.500658 1.455535 -0.568031
H -0.592587 1.221464 1.270175
H -0.756597 0.895206 -1.647374
H -1.480262 2.386022 -0.975173
H -1.612401 -1.395632 -0.795173
H -3.654040 2.333510 0.099118
H -3.677675 -2.675524 -0.152955
H -5.713870 1.059404 0.746517
H -5.730329 -1.450204 0.622646


