%chk=000196414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196414

0 1
S -1.290395 0.982497 -1.106367
O 4.180787 1.664275 0.996360
O 3.107982 3.601672 -0.578280
O 2.178223 -2.479857 -1.560186
O 2.297584 -3.224165 0.549651
O -3.673233 -0.852878 -1.607020
O -2.946054 -1.375847 0.451821
N -0.674789 -3.292259 -0.028423
N -4.658606 0.956632 1.100555
C 0.151333 -1.040896 0.825068
C 0.880351 0.204382 0.418919
C 0.220441 -2.135823 -0.264898
C 0.305466 1.183763 -0.398204
C 2.200200 0.385054 0.880953
C -2.407865 1.683818 0.153391
C 1.004182 2.345236 -0.769148
C -3.727019 0.928881 -0.047518
C 2.909341 1.529446 0.524319
C 2.301394 2.514680 -0.307453
C 1.644110 -2.691466 -0.314507
C -3.387971 -0.543429 -0.309215
H 0.554423 -1.437307 1.783456
H -0.921106 -0.824649 1.046633
H -0.040130 -1.695844 -1.270220
H 2.683549 -0.365903 1.510912
H -2.529815 2.770229 0.001060
H -1.991984 1.545286 1.167989
H 0.538898 3.091972 -1.412735
H -4.276917 1.337717 -0.946760
H -1.650930 -2.983863 0.005078
H -0.472265 -3.741791 0.863532
H -4.969601 1.902220 1.299902
H -4.235020 0.573586 1.943208
H 4.600158 2.513172 0.665800
H 2.685452 4.212168 -1.231104
H 3.104058 -2.832973 -1.649708
H -3.455531 -1.796735 -1.846362


%chk=000196414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196414

0 1
S -1.147518 1.063792 -1.437407
O 4.229775 1.795726 1.287358
O 3.290936 3.736124 -0.347245
O 2.221703 -2.051701 -1.283279
O 1.246227 -4.112344 -0.845810
O -3.136971 -1.572438 -0.745118
O -3.028355 -0.965785 1.489756
N -1.159128 -2.983485 -0.071092
N -4.734819 1.191706 0.835545
C 0.202444 -1.025078 0.702365
C 0.967180 0.241955 0.344428
C -0.049594 -2.046148 -0.456724
C 0.443061 1.255540 -0.512709
C 2.235975 0.455329 0.941176
C -2.473437 1.608123 -0.143199
C 1.192571 2.430616 -0.770992
C -3.752612 0.701886 -0.137526
C 2.979359 1.620686 0.690557
C 2.450069 2.612720 -0.174223
C 1.177535 -2.859269 -0.857201
C -3.312259 -0.708689 0.272139
H 0.721380 -1.548779 1.527774
H -0.801384 -0.757631 1.082421
H -0.384452 -1.463311 -1.338090
H 2.669557 -0.297611 1.606580
H -2.753277 2.645154 -0.396788
H -1.993240 1.581914 0.849556
H 0.774069 3.189304 -1.442126
H -4.190552 0.662160 -1.148893
H -1.247584 -3.060050 0.955249
H -0.993007 -3.923342 -0.467957
H -5.051003 2.155516 0.710012
H -4.507707 0.933030 1.801162
H 4.603480 2.670195 0.999285
H 2.899542 4.403221 -0.959839
H 2.997394 -2.614059 -1.555345
H -2.346657 -2.353976 -0.463300


