%chk=000228358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228358

0 1
S 1.734029 0.836085 -1.476726
O 1.113021 -2.289983 1.425797
O 1.057736 -2.779962 -0.752197
N -2.779562 0.448814 -0.106004
C -0.064020 -0.707818 0.048747
C -1.012537 -0.616836 1.268800
C -0.935222 -0.769707 -1.228431
C -1.965824 0.580564 1.147979
C -1.888225 0.430650 -1.313649
C 0.942517 0.395739 0.020995
C 0.740946 -2.018977 0.128659
C -3.762293 1.569093 -0.205302
C 1.426001 1.165572 1.037460
C 2.427437 2.118950 0.615191
C 2.704019 2.062897 -0.715022
H -0.431569 -0.557590 2.209114
H -1.606213 -1.552669 1.337791
H -1.532498 -1.707748 -1.212934
H -0.314158 -0.838258 -2.142006
H -2.667478 0.578513 2.010746
H -1.392347 1.531872 1.195852
H -1.311499 1.372186 -1.442996
H -2.534749 0.320160 -2.212011
H -4.439776 1.529757 0.662968
H -4.385641 1.419319 -1.101892
H -3.319862 2.574760 -0.255132
H 1.120565 1.090866 2.073090
H 2.894358 2.794885 1.319394
H 3.404053 2.650967 -1.282647
H 1.656991 -3.119900 1.499569


%chk=000228358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228358

0 1
S 1.723800 0.905686 -1.553220
O 1.201161 -2.259076 1.456253
O 0.977637 -2.818551 -0.780475
N -2.798455 0.477347 -0.116106
C -0.080179 -0.717757 0.056871
C -1.035468 -0.580251 1.285919
C -0.958164 -0.775585 -1.227963
C -2.000439 0.608957 1.125948
C -1.922739 0.421622 -1.311738
C 0.953413 0.408730 0.019666
C 0.728678 -2.029896 0.156208
C -3.831719 1.523815 -0.228386
C 1.508685 1.130059 1.067542
C 2.520840 2.078044 0.670590
C 2.760094 2.087734 -0.693222
H -0.459258 -0.489382 2.221466
H -1.632892 -1.507995 1.357696
H -1.550002 -1.708148 -1.200338
H -0.323467 -0.822527 -2.131010
H -2.696097 0.625462 1.986141
H -1.424888 1.570124 1.144529
H -1.341609 1.371167 -1.439695
H -2.562624 0.306735 -2.206586
H -4.500361 1.483235 0.650511
H -4.443447 1.346472 -1.131213
H -3.410244 2.559515 -0.294559
H 1.211522 0.980398 2.107738
H 3.049934 2.725609 1.373906
H 3.457194 2.695356 -1.267588
H 1.757295 -3.084697 1.456318


