%chk=000256961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256961

0 1
S -0.578059 0.493370 0.145687
O 0.824635 -2.175612 -1.356444
O 2.107456 -1.416692 0.313485
O -4.143829 0.191098 0.554729
N -3.117924 2.154377 0.097237
C 1.754375 1.296547 -1.059383
C 0.750195 0.146637 -1.051614
C 2.366283 1.619700 0.309521
C -2.100922 0.072430 -0.765605
C 3.460807 2.689142 0.186182
C -2.287401 -1.441511 -0.836430
C 1.334298 -1.156299 -0.571912
C 4.068210 3.023719 1.546426
C -3.200620 0.760133 0.038353
C -3.480410 -1.819361 -1.711031
H 2.568212 1.050879 -1.776995
H 1.261430 2.203538 -1.469249
H 0.327929 0.012167 -2.082378
H 2.790684 0.698697 0.766880
H 1.586472 1.966020 1.015565
H -2.071763 0.502128 -1.796512
H 3.045693 3.607449 -0.272890
H 4.257402 2.338122 -0.499231
H -1.366223 -1.922537 -1.231904
H -2.438101 -1.853459 0.185809
H 4.514878 2.139159 2.016820
H 3.316483 3.415725 2.241101
H 4.856662 3.778921 1.454360
H -4.414759 -1.407081 -1.298417
H -3.376935 -1.458168 -2.738425
H -3.604589 -2.907744 -1.754474
H -3.782408 2.653434 0.672648
H -2.288755 2.667015 -0.152493
H 1.145191 -3.074646 -1.076217


%chk=000256961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256961

0 1
S -0.545972 0.206342 0.458755
O 0.816753 -2.481277 -1.132915
O 2.540746 -1.573397 0.126247
O -4.459006 0.441112 0.109199
N -2.896016 2.118216 0.466276
C 1.767876 1.121164 -0.984976
C 0.814818 -0.086645 -0.878876
C 2.459078 1.574080 0.321358
C -2.138354 0.017322 -0.619646
C 3.341883 2.823740 0.101156
C -2.531104 -1.454758 -0.844898
C 1.503437 -1.401940 -0.549685
C 4.021332 3.306323 1.400573
C -3.267650 0.860463 0.030550
C -3.508471 -1.636487 -2.030479
H 2.545545 0.875402 -1.738978
H 1.182636 1.967406 -1.397558
H 0.253281 -0.226487 -1.817654
H 3.071995 0.747445 0.722698
H 1.686858 1.803689 1.083579
H -1.878667 0.501107 -1.582999
H 2.724726 3.643850 -0.321672
H 4.117957 2.594805 -0.657965
H -1.612075 -2.039182 -1.031486
H -2.990985 -1.844573 0.081285
H 4.666971 2.515388 1.825721
H 3.268463 3.570624 2.167044
H 4.650178 4.197779 1.221966
H -4.459273 -1.114799 -1.836672
H -3.074475 -1.246983 -2.972038
H -3.725126 -2.709559 -2.182874
H -3.610511 2.720790 0.874151
H -1.911268 2.388360 0.497992
H 1.259017 -3.332020 -0.863982


