%chk=000190609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190609

0 1
S -2.308608 -1.380298 -1.706583
P -2.469674 -0.542364 -0.028293
O -2.286915 1.219119 0.057292
O -2.103044 -1.313991 1.380053
O -4.049115 -0.309892 0.481561
N 1.665854 -1.112672 0.073139
N 1.781259 1.262803 0.163810
N -0.381258 0.155532 0.080815
C 3.157881 -1.167458 0.125700
C 0.944450 -2.411317 -0.065703
C 1.011073 0.086357 0.101893
C 3.760984 -1.113417 -1.274621
C 0.482092 -2.933867 1.288180
C 1.164719 2.465545 0.173825
C -0.951269 1.419469 0.083597
C -0.248530 2.607862 0.126101
C 2.039388 3.670805 0.235777
H 3.542517 -0.317904 0.741364
H 3.449228 -2.104675 0.650246
H 0.078789 -2.289937 -0.762196
H 1.630073 -3.138802 -0.556002
H 3.394428 -1.919978 -1.919500
H 3.516677 -0.163198 -1.772586
H 4.853749 -1.187595 -1.234051
H 1.314003 -3.117934 1.974257
H -0.201813 -2.221460 1.781865
H -0.078869 -3.869299 1.171301
H -0.735657 3.573172 0.120884
H 1.813476 4.280362 1.123767
H 3.110419 3.410478 0.279469
H 1.894744 4.309903 -0.648883
H -2.826873 -1.232679 2.084716
H -4.615380 0.331527 -0.005895


%chk=000190609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190609

0 1
S -2.786650 -1.517503 -1.716273
P -2.946626 -0.462054 0.031435
O -2.240179 1.175453 0.160301
O -2.665849 -1.244043 1.536484
O -4.545748 0.046917 0.467260
N 1.829735 -1.121332 0.046500
N 1.912174 1.243029 0.147220
N -0.211250 0.046618 0.116021
C 3.308505 -1.171329 0.087492
C 1.074246 -2.393498 -0.071791
C 1.169070 0.076832 0.104336
C 3.945265 -1.101736 -1.316931
C 0.644105 -2.965670 1.295678
C 1.230472 2.423155 0.183256
C -0.841701 1.233876 0.139868
C -0.191889 2.480931 0.168321
C 2.054768 3.691060 0.232505
H 3.664864 -0.324415 0.696137
H 3.593789 -2.110990 0.596909
H 0.180825 -2.216506 -0.694944
H 1.726964 -3.109168 -0.605831
H 3.579953 -1.917518 -1.967112
H 3.702390 -0.137066 -1.794095
H 5.045244 -1.187301 -1.243466
H 1.512634 -3.098364 1.967024
H -0.086587 -2.294005 1.776276
H 0.161012 -3.950287 1.156793
H -0.742947 3.421064 0.187448
H 1.826000 4.275776 1.142504
H 3.126082 3.439713 0.229019
H 1.835260 4.337957 -0.636749
H -3.430937 -1.085121 2.156178
H -5.084195 0.459726 -0.252474


