%chk=000256881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256881

0 1
S -1.698701 1.311766 0.196654
O -1.583063 2.061864 -1.032232
O -2.198940 1.896429 1.414297
N -0.069474 0.789494 0.522544
N 2.025200 3.502416 0.308711
C 1.033616 1.165325 -0.398662
C 2.161212 0.148386 -0.389350
C 2.359014 -0.667301 0.745639
C 0.260259 0.110055 1.720399
C 1.416813 -0.575011 1.855988
C -2.526064 -0.173063 -0.092460
C 3.021187 0.049993 -1.489480
C 3.434992 -1.572880 0.761954
C 1.587014 2.480669 0.002095
C 4.083512 -0.855382 -1.462884
C 4.290008 -1.661818 -0.335990
C -3.311717 -0.740132 0.917816
C -2.426538 -0.799934 -1.339236
C -3.987445 -1.940709 0.685882
C -3.101955 -2.001398 -1.572485
C -3.879894 -2.571791 -0.558956
H 0.602862 1.273225 -1.442757
H -0.495672 0.165549 2.513257
H 1.669367 -1.084760 2.781728
H 2.870986 0.684065 -2.362838
H 3.598061 -2.202755 1.634402
H 4.755522 -0.930253 -2.315634
H -3.406987 -0.238966 1.888469
H -1.829279 -0.349734 -2.138768
H 5.124872 -2.361872 -0.318107
H -4.599437 -2.382672 1.471701
H -3.023878 -2.490824 -2.542938
H -4.406855 -3.510281 -0.740357


%chk=000256881-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256881

0 1
S -2.214529 -3.386684 0.509702
O -1.016841 -3.269747 -0.838433
O -1.486747 -3.057635 1.967905
N 0.764168 -1.450044 -0.224591
N 1.100738 -0.882434 -3.649528
C 1.564057 -0.739334 -1.055042
C 2.643963 0.089265 -0.578351
C 2.853771 0.143997 0.854595
C 0.963571 -1.390987 1.139062
C 1.981526 -0.615120 1.697030
C -3.148301 -1.758336 0.165983
C 3.498075 0.838822 -1.449666
C 3.920678 0.951267 1.369023
C 1.298060 -0.832323 -2.472200
C 4.528510 1.615324 -0.916581
C 4.740906 1.671458 0.499490
C -3.448264 -0.931251 1.262988
C -3.534626 -1.446685 -1.151828
C -4.168754 0.263194 1.027101
C -4.254446 -0.249083 -1.373089
C -4.573843 0.599845 -0.286080
H -0.323043 -2.472795 -0.650888
H 0.252986 -1.986181 1.734269
H 2.110582 -0.592328 2.783716
H 3.336456 0.794589 -2.532047
H 4.081235 0.992313 2.452022
H 5.182917 2.187508 -1.582238
H -3.098726 -1.214490 2.262466
H -3.255245 -2.101533 -1.983781
H 5.555528 2.286446 0.896281
H -4.413325 0.925270 1.865032
H -4.558627 0.020574 -2.390284
H -5.133813 1.524819 -0.463635


