%chk=000271573.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271573

0 1
S -1.102989 -1.435416 0.001014
O 4.915750 0.531512 -0.000435
O -4.556263 0.478206 -0.001433
O 4.095498 -1.581731 0.000135
O -4.162493 -1.747686 -0.003665
N 1.480725 -0.634251 0.005820
C 0.183122 -0.220783 0.004352
C 2.583282 0.348244 0.008008
C -2.333582 -0.203759 0.000639
C -0.354610 1.058697 0.005050
C -1.776262 1.053081 0.002910
C 3.909124 -0.387662 0.002065
C -3.715453 -0.619129 -0.001853
C 6.298590 0.009198 -0.005822
C -5.997098 0.189468 -0.003544
C 7.146978 1.259442 -0.007333
C -6.640742 1.559748 -0.002503
H 2.519454 1.023786 -0.883749
H 2.523149 1.015538 0.906204
H 1.738979 -1.623500 0.005412
H 0.218297 1.969629 0.007102
H -2.366673 1.966080 0.003086
H 6.420478 -0.612369 0.897962
H 6.414188 -0.610281 -0.911868
H -6.219261 -0.403315 -0.907624
H -6.221435 -0.405708 0.898423
H 6.950221 1.884080 0.875662
H 6.943978 1.886166 -0.887437
H 8.216472 1.011957 -0.011419
H -6.340585 2.141397 0.879832
H -6.338499 2.143717 -0.882591
H -7.734241 1.484141 -0.003897


%chk=000271573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271573

0 1
S -1.089909 -1.508955 -0.001540
O 4.966688 0.598765 -0.001588
O -4.613321 0.523073 0.000674
O 4.068988 -1.556609 -0.001360
O -4.192925 -1.787619 -0.000887
N 1.523927 -0.590674 -0.001518
C 0.196328 -0.233614 -0.000873
C 2.583384 0.406657 -0.001353
C -2.363304 -0.203665 -0.000157
C -0.352212 1.061609 0.000139
C -1.779695 1.061534 0.000512
C 3.929531 -0.310694 -0.002217
C -3.761203 -0.601117 0.000076
C 6.357887 0.027530 -0.000852
C -6.070992 0.210548 0.000476
C 7.316303 1.211856 -0.000834
C -6.805095 1.548094 0.001061
H 2.531578 1.069045 -0.890986
H 2.532260 1.068102 0.889056
H 1.828058 -1.568411 -0.001626
H 0.250074 1.972374 0.000676
H -2.391631 1.966278 0.001349
H 6.462617 -0.609233 0.895562
H 6.463333 -0.609793 -0.896784
H -6.301006 -0.397242 -0.893796
H -6.301070 -0.398070 0.894165
H 7.169787 1.839579 0.894265
H 7.170463 1.839031 -0.896426
H 8.358470 0.844424 -0.000327
H -6.546050 2.139053 0.896434
H -6.545909 2.139898 -0.893712
H -7.897259 1.376745 0.000897


