%chk=000194813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194813

0 1
S -1.580390 -1.005382 0.387667
O -1.595281 -2.417789 0.677997
O -1.668646 -0.038603 1.463426
O 2.234253 0.254415 -1.605359
O -4.726904 -1.868406 0.326887
O -4.705316 2.483188 -1.193204
O 6.231043 0.563272 -1.847134
O 5.466078 -1.219426 -0.728186
N 3.343027 0.450460 0.352879
N -5.036014 0.342348 -0.329536
C -2.906771 -0.633502 -0.766816
C 4.534920 1.057753 -0.282683
C 1.107423 -0.682530 0.339849
C -0.137366 -0.648265 -0.556962
C 5.300309 1.728998 0.875367
C 3.534687 0.281582 1.822397
C 4.867027 0.983439 2.151452
C 2.251964 0.023501 -0.404834
C -2.881977 0.834355 -1.207245
C -4.288718 -0.860867 -0.158352
C -4.279889 1.387123 -0.936574
C 1.535207 -2.111775 0.665456
C 5.402865 -0.032909 -0.922713
C -6.406509 0.531431 0.221070
C -6.361550 0.960159 1.682261
H -2.830984 -1.312482 -1.653955
H 4.223694 1.781246 -1.085260
H 0.891524 -0.122713 1.291203
H -0.182057 0.331922 -1.080301
H 0.011215 -1.361030 -1.399896
H 6.394081 1.695354 0.727094
H 5.031210 2.800737 0.933417
H 2.682637 0.743753 2.365029
H 3.564771 -0.799829 2.084472
H 4.756289 1.678100 3.001605
H 5.632766 0.243186 2.449445
H -2.152987 1.460573 -0.646521
H -2.627879 0.949919 -2.279179
H 0.702457 -2.703764 1.084610
H 2.354020 -2.141671 1.396012
H 1.880960 -2.653945 -0.225978
H -6.957996 -0.431490 0.109758
H -6.921411 1.300258 -0.401715
H -5.856411 0.214561 2.312173
H -5.828666 1.910823 1.815507
H -7.373744 1.093010 2.083222
H 6.814639 -0.087286 -2.321154


%chk=000194813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194813

0 1
S -1.554490 1.264133 0.528446
O -2.177797 0.353880 1.737858
O -0.998436 2.767084 0.864995
O 2.174767 -0.714066 -1.484090
O -3.141142 -0.873884 -1.553097
O -6.345643 1.740058 0.669922
O 5.915011 -1.897293 -1.569352
O 4.714399 -2.316136 0.377842
N 3.499497 0.272601 0.137944
N -4.935203 0.180504 -0.412269
C -3.029260 1.501708 -0.819324
C 4.727428 -0.032910 -0.622885
C 1.040062 0.135054 0.522951
C -0.159336 0.310156 -0.424759
C 5.806383 0.844970 0.075793
C 3.778127 0.976094 1.422067
C 5.319956 0.902001 1.546521
C 2.276444 -0.126971 -0.356398
C -4.095539 2.407401 -0.203065
C -3.662225 0.132357 -1.006566
C -5.267662 1.463894 0.101253
C 0.830819 -1.051317 1.505820
C 5.069858 -1.525778 -0.519877
C -5.802774 -1.005264 -0.262515
C -5.484031 -1.777092 1.034538
H -2.482066 1.874293 -1.696228
H 4.601062 0.206701 -1.690903
H 1.182747 1.073948 1.094743
H 0.050149 0.969279 -1.281970
H -0.636461 -0.625150 -0.752131
H 6.820379 0.428542 -0.034940
H 5.796360 1.851151 -0.380271
H 3.427359 2.025588 1.368837
H 3.271706 0.481212 2.268060
H 5.730440 1.763884 2.097489
H 5.609115 -0.020679 2.079114
H -3.766654 2.918871 0.719551
H -4.423608 3.194464 -0.904263
H -0.086353 -0.895451 2.099471
H 1.687905 -1.156062 2.193130
H 0.734891 -1.995289 0.941141
H -5.639506 -1.643248 -1.148373
H -6.846015 -0.645133 -0.258498
H -4.434554 -2.115771 1.043909
H -5.654556 -1.143048 1.920647
H -6.139016 -2.663427 1.107467
H 6.139064 -2.864058 -1.491034


