%chk=000210297.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210297

0 1
S 6.571582 -0.144876 -0.719117
S 6.356470 1.814025 -0.134355
O -4.264955 -0.378074 0.168547
O 5.913795 1.523854 1.460137
O 7.633455 2.441368 -0.063585
O 5.223121 2.390169 -0.771569
N 2.957902 -1.602334 0.456361
C -5.481995 0.410620 0.216895
C -6.541292 -0.629752 0.611616
C -5.752248 1.020528 -1.168017
C -7.946930 -0.024627 0.538552
C -7.163552 1.615581 -1.229628
C -8.226085 0.575117 -0.847076
C -3.037785 0.386334 0.229778
C -1.951745 -0.689409 0.289186
C -0.555992 -0.065666 0.379784
C 0.530364 -1.147523 0.418792
C 1.928331 -0.519197 0.531639
C 4.350550 -1.081001 0.600945
C 4.847132 -0.729340 -0.801567
H -5.377081 1.198780 0.991194
H -6.456048 -1.506400 -0.061387
H -6.327800 -1.014032 1.625836
H -4.998266 1.791193 -1.404643
H -5.630031 0.233076 -1.937849
H -8.699339 -0.801535 0.771460
H -8.062478 0.755094 1.315780
H -7.233606 2.489283 -0.553547
H -7.362955 2.000048 -2.247550
H -8.246379 -0.232126 -1.604718
H -9.230199 1.037323 -0.863203
H -3.050099 1.025115 1.129080
H -2.959948 1.013603 -0.674093
H -2.145103 -1.356446 1.153155
H -2.036097 -1.342720 -0.602826
H -0.485728 0.574280 1.281036
H -0.385617 0.606287 -0.484766
H 0.348181 -1.838285 1.264173
H 0.478276 -1.774288 -0.495446
H 2.101252 0.179171 -0.318010
H 2.004686 0.089098 1.459073
H 2.777540 -2.306291 1.179469
H 4.426978 -0.199360 1.282453
H 4.990713 -1.874048 1.048889
H 4.193880 0.019647 -1.296761
H 4.839073 -1.622856 -1.463147
H 6.370875 2.036791 2.147328


%chk=000210297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210297

0 1
S 6.674730 -0.222751 -0.361979
S 6.026422 2.199527 -0.582104
O -4.305627 -0.614233 0.015783
O 6.465896 2.728380 1.150119
O 6.873069 3.151253 -1.583668
O 4.401335 2.198309 -0.706871
N 3.031513 -1.836350 0.773572
C -5.507165 0.238915 0.124502
C -6.703067 -0.719874 0.249840
C -5.670799 1.183421 -1.088395
C -8.039215 0.058142 0.331812
C -7.002339 1.971924 -0.999850
C -8.211403 1.014085 -0.873159
C -3.041232 0.085842 0.268281
C -1.925886 -0.965719 0.249046
C -0.534385 -0.361106 0.540974
C 0.594560 -1.413496 0.476119
C 1.973873 -0.818409 0.816404
C 4.422807 -1.419510 0.908107
C 4.920901 -0.830884 -0.445400
H -5.429640 0.855573 1.053044
H -6.705928 -1.384241 -0.637038
H -6.563080 -1.362910 1.138304
H -4.817636 1.885948 -1.152955
H -5.660171 0.565727 -2.008743
H -8.884536 -0.654660 0.381142
H -8.065944 0.648865 1.271282
H -6.975614 2.643220 -0.115992
H -7.113635 2.621441 -1.889209
H -8.301000 0.416275 -1.803586
H -9.149213 1.593745 -0.770542
H -3.084272 0.596867 1.258398
H -2.852858 0.860324 -0.507787
H -2.167049 -1.747014 0.995786
H -1.925983 -1.460428 -0.741521
H -0.539478 0.112569 1.544816
H -0.319790 0.449186 -0.186257
H 0.363411 -2.238164 1.184030
H 0.634328 -1.862857 -0.535116
H 2.222843 -0.014634 0.092994
H 1.931314 -0.322871 1.817449
H 2.782848 -2.755474 1.145954
H 4.569521 -0.645489 1.693482
H 5.036040 -2.295554 1.183430
H 4.297776 0.057019 -0.693306
H 4.830085 -1.552010 -1.276697
H 6.678472 3.708279 1.103804


