%chk=000234629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234629

0 1
S -3.932936 0.395884 -0.328277
S 3.941012 0.410972 0.329711
O -4.170077 1.074701 0.913218
O -3.915723 1.136570 -1.564016
O 4.177571 1.052400 -0.931614
O 3.922542 1.188519 1.542575
O -6.040675 -2.727338 0.071742
O 6.052971 -2.720064 0.024276
N -5.247126 -0.771377 -0.542560
N 5.256662 -0.747598 0.579319
N -5.158645 -1.924949 0.126521
N 5.169898 -1.920860 -0.054820
C 0.004734 -0.625050 0.015967
C -1.256710 0.243167 -0.103200
C 1.264999 0.248028 0.109277
C -2.514443 -0.622612 -0.209859
C 2.523882 -0.612488 0.241731
C -6.412957 -0.355448 -1.361800
C 6.421728 -0.305679 1.385940
H -0.069748 -1.279859 0.906708
H 0.080118 -1.305908 -0.854950
H -1.170342 0.904698 -0.993578
H -1.327474 0.916211 0.779791
H 1.334922 0.894573 -0.793364
H 1.177676 0.935674 0.979554
H -2.422155 -1.312552 -1.077183
H -2.571450 -1.310666 0.665438
H 2.581859 -1.326286 -0.612642
H 2.432467 -1.276382 1.129245
H -7.096064 0.286953 -0.778999
H -6.989971 -1.236159 -1.698837
H -6.078616 0.201352 -2.257239
H 7.104105 0.319861 0.784251
H 6.999851 -1.175088 1.749384
H 6.086417 0.277300 2.264190


%chk=000234629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234629

0 1
S -4.024700 0.540314 -0.803343
S 4.032065 0.570070 0.801203
O -4.043870 1.671487 0.352527
O -4.253112 0.953361 -2.356136
O 4.049378 1.667131 -0.387218
O 4.259798 1.028578 2.341178
O -6.143574 -2.421677 0.830690
O 6.154605 -2.436770 -0.743186
N -5.421153 -0.781894 -0.487435
N 5.430871 -0.758200 0.524137
N -5.170262 -1.615893 0.583396
N 5.180063 -1.625459 -0.519915
C 0.004551 -0.570138 0.014829
C -1.236071 0.309002 -0.297565
C 1.243233 0.319366 0.304883
C -2.444713 -0.579654 -0.582285
C 2.453670 -0.559058 0.612461
C -6.660283 -0.726521 -1.282158
C 6.671133 -0.676138 1.314824
H -0.209626 -1.217403 0.888241
H 0.220197 -1.238797 -0.841922
H -1.020102 0.959684 -1.165473
H -1.452460 0.965375 0.565991
H 1.458444 0.953768 -0.575283
H 1.025653 0.991707 1.155698
H -2.407283 -1.126974 -1.537869
H -2.733129 -1.234647 0.255525
H 2.742878 -1.235825 -0.207544
H 2.418513 -1.080162 1.582667
H -7.510998 -0.404612 -0.656316
H -6.877596 -1.726763 -1.696007
H -6.492594 -0.011413 -2.105744
H 7.520299 -0.372596 0.677792
H 6.890707 -1.662703 1.759164
H 6.503771 0.063956 2.116091


