%chk=000273548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273548

0 1
S 0.765805 -1.943259 0.461822
O -0.358410 -0.721170 1.034524
O -4.657800 0.880321 -0.270283
O 0.832658 -2.879727 1.545956
O 0.201306 -2.351877 -0.796781
O -0.031413 1.806435 -0.631944
N -3.784451 -1.271846 -0.036480
N -1.972356 1.854605 0.608261
C -2.428583 -1.862110 0.177841
C -1.600096 -0.642389 0.554706
C -2.328712 0.502952 0.409210
C -3.723899 0.146004 -0.032348
C -4.771832 -2.015784 -0.834265
C 2.173592 -1.015624 0.323607
C 3.286127 -1.314952 1.131619
C 2.241444 0.052343 -0.583067
C 4.530555 0.491410 0.094743
C 4.455389 -0.574871 1.016666
C 3.416160 0.797574 -0.699678
C -0.842046 2.441160 0.022871
C 5.789805 1.280460 -0.018023
C -0.707116 3.913953 0.302059
H -2.026628 -2.374150 -0.731502
H -2.467975 -2.611013 0.999561
H -5.696103 -1.410416 -0.921723
H -5.027886 -2.959106 -0.322942
H -4.415111 -2.246614 -1.851821
H -2.702587 2.428820 1.032949
H 3.229312 -2.136649 1.856339
H 1.367338 0.321889 -1.198919
H 5.315293 -0.812344 1.640858
H 3.452707 1.627111 -1.405930
H 6.022643 1.797550 0.926149
H 6.651523 0.635666 -0.249599
H 5.747632 2.050480 -0.801096
H 0.230163 4.293163 -0.135612
H -0.675114 4.137228 1.376630
H -1.525734 4.497475 -0.140857


%chk=000273548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273548

0 1
S 0.867844 -1.349083 -0.619419
O -0.431175 -0.604977 1.046472
O -4.882979 0.690019 -0.383597
O 0.965490 -2.985360 -0.652366
O 0.259762 -0.577395 -1.928934
O -0.047024 2.188607 -0.114458
N -3.913490 -1.360354 0.369115
N -2.357238 1.802601 -0.187002
C -2.579657 -1.821796 0.780739
C -1.695576 -0.565821 0.675194
C -2.498278 0.472290 0.160838
C -3.907189 -0.023601 0.012445
C -5.101497 -2.210066 0.327723
C 2.561637 -0.685325 -0.139680
C 3.579854 -1.626434 0.089264
C 2.732352 0.703698 -0.012093
C 5.097164 0.261013 0.560319
C 4.856396 -1.133063 0.436039
C 4.021055 1.162286 0.339007
C -1.210908 2.605854 -0.336790
C 6.480755 0.779609 0.905904
C -1.511615 4.014604 -0.835697
H -2.194676 -2.619588 0.114067
H -2.581862 -2.209822 1.817407
H -5.948326 -1.595259 -0.018249
H -5.335701 -2.614763 1.330234
H -4.959863 -3.054675 -0.372144
H -3.270709 2.211302 -0.453183
H 3.378356 -2.698002 -0.005609
H 1.894011 1.391735 -0.154601
H 5.673131 -1.842296 0.613247
H 4.187749 2.240040 0.449921
H 7.061753 0.037542 1.480164
H 7.054489 1.008082 -0.013271
H 6.428829 1.709707 1.498279
H -0.750284 4.704390 -0.440581
H -2.514238 4.373376 -0.545846
H -1.442744 4.033628 -1.939357


