%chk=000182882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182882

0 1
S -0.199798 1.903420 0.620633
O -2.507177 0.921535 1.100636
O 1.022407 -1.045821 1.288427
O 0.871149 -0.793635 -0.939430
O -1.634844 -1.564966 0.776567
N 3.510761 0.512753 -0.357207
N -2.024249 -1.659865 -1.466344
C 1.493318 2.035290 -0.030758
C 2.254490 0.767711 0.381803
C -1.165486 1.380121 -0.834118
C -2.282841 0.518140 -0.245508
C 1.328620 -0.425420 0.125752
C -1.923332 -0.982165 -0.263591
H 1.952040 2.938122 0.416788
H 1.500477 2.190842 -1.123136
H 2.501515 0.802595 1.483181
H -0.540991 0.839147 -1.571760
H -1.576443 2.273036 -1.340411
H -3.262342 0.708030 -0.749126
H 4.194122 1.242573 -0.183285
H 3.353976 0.454065 -1.360555
H -2.044695 0.302418 1.743131
H -2.041448 -1.175133 -2.348596
H -1.674029 -2.610419 -1.513705
H 0.291699 -1.746272 1.194314


%chk=000182882-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182882

0 1
S -0.208139 2.020136 0.711326
O -3.168021 0.698784 1.026642
O 1.022160 -1.010540 1.572318
O 1.422324 -1.445630 -0.678934
O -1.476682 -1.380461 0.812969
N 3.569236 0.415473 -0.460142
N -1.291062 -1.227355 -1.500129
C 1.390178 1.656701 -0.283332
C 2.353796 0.575146 0.338017
C -1.596101 1.758591 -0.564331
C -2.521263 0.543022 -0.258480
C 1.591153 -0.744001 0.358049
C -1.736003 -0.784471 -0.288424
H 1.939459 2.612088 -0.341964
H 1.105302 1.342159 -1.303291
H 2.603545 0.859811 1.373264
H -1.145401 1.694951 -1.571430
H -2.216537 2.667395 -0.508439
H -3.320413 0.523951 -1.027923
H 4.175470 1.232714 -0.538755
H 3.446911 -0.126805 -1.318957
H -2.669191 0.119042 1.670103
H -1.522596 -0.737673 -2.363561
H -0.529441 -1.914957 -1.510751
H 0.178215 -1.561970 1.459858