%chk=000200587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200587

0 1
S -0.521976 0.095878 -1.715994
S 2.879868 -0.077162 -2.402766
P 1.457146 -0.060233 -1.124443
O 1.481043 1.156054 0.000527
O 1.313270 -1.388461 -0.145149
O -3.127914 0.260582 -1.618353
N -3.718939 0.180586 0.580872
C -1.326675 0.059103 -0.069166
C -2.783185 0.175164 -0.447710
C 2.756169 1.803546 0.298725
C 2.507383 -2.184433 0.127806
C -5.158690 0.294605 0.259011
C -3.349604 0.082521 2.006483
C 2.371905 2.853940 1.325212
C 1.970099 -3.324733 0.973738
H -0.983842 0.899562 0.570161
H -1.100579 -0.883285 0.472610
H 3.460284 1.057819 0.709472
H 3.165284 2.258052 -0.625296
H 2.940850 -2.546119 -0.825698
H 3.238957 -1.566039 0.678365
H -5.296024 0.361212 -0.841071
H -5.591556 1.202599 0.708456
H -5.712076 -0.589088 0.614959
H -2.709791 0.929559 2.310967
H -2.812188 -0.859615 2.214078
H -4.245734 0.098701 2.649348
H 3.234103 3.466724 1.611540
H 1.596059 3.524124 0.927619
H 1.958107 2.395718 2.232355
H 2.756512 -4.048984 1.214166
H 1.539394 -2.958419 1.914103
H 1.166839 -3.858577 0.445270


%chk=000200587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200587

0 1
S -0.436350 0.161676 -1.935317
S 3.238238 -0.256796 -2.368859
P 1.632940 -0.233355 -1.067164
O 1.770357 0.883647 0.284141
O 1.298340 -1.655958 -0.123754
O -3.175774 0.670829 -1.714950
N -3.681215 0.277483 0.527771
C -1.343092 -0.037318 -0.272183
C -2.803070 0.333275 -0.544396
C 2.379226 2.217266 0.020330
C 2.454078 -2.334610 0.538691
C -5.099525 0.613921 0.309468
C -3.314475 -0.116607 1.895904
C 2.513498 2.903800 1.377151
C 1.905771 -3.633707 1.120687
H -0.858727 0.629214 0.460901
H -1.222049 -1.082341 0.053496
H 3.360045 2.071686 -0.471015
H 1.718298 2.786457 -0.662239
H 3.239400 -2.520641 -0.218915
H 2.854626 -1.663994 1.321908
H -5.233135 0.883562 -0.748815
H -5.397298 1.468464 0.946595
H -5.745140 -0.252081 0.551107
H -3.549561 0.697959 2.608367
H -2.241483 -0.342145 1.975444
H -3.880397 -1.017271 2.204760
H 2.959730 3.906840 1.244532
H 1.527695 3.023163 1.858497
H 3.163759 2.318032 2.048964
H 2.718110 -4.187557 1.626935
H 1.111526 -3.430084 1.859265
H 1.490152 -4.271910 0.322890


