%chk=000257319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257319

0 1
S 2.145487 0.678966 0.432412
S 2.606291 -0.072100 -2.478743
O -1.490192 -2.402105 1.086608
O -2.397378 2.170022 -0.115119
O -3.616202 -1.307456 -2.799229
O 4.397899 0.773072 -0.925788
N -2.532327 -1.845566 -0.836742
N -3.011648 0.436018 -1.415519
C -1.892984 -0.024411 0.807617
C -0.420393 0.345755 1.109636
C -2.783684 0.077055 2.079194
C -1.927826 -1.505877 0.402604
C -2.427466 0.966653 -0.230504
C 0.483194 0.157440 -0.099574
C -2.730819 1.426959 2.778526
C -3.097570 -0.935851 -1.771897
C 3.121438 0.463693 -1.031220
C 4.978903 1.270859 0.344135
C 6.430645 1.479051 -0.024805
H -0.071387 -0.276395 1.965642
H -0.390747 1.403481 1.462113
H -2.471164 -0.719917 2.791591
H -3.832382 -0.158928 1.801904
H 0.518816 -0.897708 -0.444834
H 0.161968 0.767799 -0.970069
H -1.769732 1.600094 3.276899
H -2.888748 2.266131 2.081797
H -3.510314 1.498700 3.548118
H -2.561981 -2.847308 -1.095229
H -3.393113 1.111862 -2.100548
H 4.462120 2.208856 0.611440
H 4.835873 0.492286 1.113396
H 7.009884 1.853919 0.828029
H 6.898309 0.543734 -0.367558
H 6.538332 2.198518 -0.850484


%chk=000257319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257319

0 1
S 2.296733 0.725718 0.508103
S 2.624625 -0.101742 -2.503904
O -1.257608 -2.413394 0.869967
O -2.177634 2.179161 -0.324710
O -4.300773 -1.346618 -2.479746
O 4.590747 0.783051 -0.952555
N -2.797283 -1.843751 -0.758706
N -3.282538 0.403644 -1.309024
C -1.858451 -0.033592 0.708583
C -0.405491 0.362235 1.099880
C -2.816526 0.039723 1.979077
C -1.909392 -1.513597 0.281499
C -2.411999 0.943409 -0.341339
C 0.579451 0.187754 -0.069366
C -2.849034 1.396243 2.709110
C -3.522854 -0.956826 -1.576377
C 3.256085 0.465968 -1.051840
C 5.189389 1.293665 0.328773
C 6.666727 1.530904 0.039950
H -0.099325 -0.270489 1.951891
H -0.415481 1.416931 1.422184
H -2.470708 -0.753907 2.668259
H -3.841022 -0.234935 1.657922
H 0.671445 -0.859278 -0.398416
H 0.329751 0.821383 -0.935939
H -1.879665 1.631522 3.180560
H -3.108390 2.227347 2.031738
H -3.607448 1.356516 3.511805
H -2.905310 -2.839245 -0.980824
H -3.735611 1.066393 -1.947424
H 4.662995 2.224653 0.612010
H 5.032957 0.530147 1.114083
H 7.167037 1.908701 0.950156
H 7.161220 0.594607 -0.267823
H 6.794480 2.274999 -0.763758


