%chk=000194686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194686

0 1
S -5.437785 0.666302 -0.170728
O -1.752130 -2.156489 1.254723
O -1.174288 2.162647 -0.005807
O 0.394303 -2.784645 1.351116
N -0.219343 0.078887 -0.178950
C -0.433804 -1.346221 -0.528852
C 0.640467 -1.868798 -1.493285
C 2.038415 -1.685453 -0.907970
C 2.233047 -0.310015 -0.340002
C 1.146079 0.518112 0.033226
C -1.337740 0.964954 -0.123481
C -0.459784 -2.170452 0.769995
C 3.543590 0.140486 -0.129828
C 1.406308 1.764073 0.634027
C -2.720279 0.340836 -0.191902
C 3.793062 1.385324 0.449013
C 2.719210 2.190960 0.834431
C -3.786127 1.424112 -0.167808
H -1.440135 -1.471472 -1.029487
H 0.557940 -1.318653 -2.454794
H 0.456238 -2.935322 -1.728630
H 2.802397 -1.905432 -1.680785
H 2.207239 -2.430031 -0.091102
H 4.381092 -0.493949 -0.418964
H 0.588093 2.422450 0.944949
H -2.854366 -0.358159 0.675025
H -2.820873 -0.297898 -1.095800
H 4.815824 1.722383 0.602250
H 2.901391 3.161276 1.295529
H -3.664940 2.137948 -1.005619
H -3.709581 2.039852 0.755750
H -1.855619 -2.653075 2.111068
H -5.533600 0.333062 -1.474010


%chk=000194686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194686

0 1
S -5.597922 0.670877 -0.334930
O -0.998478 -1.563858 1.903227
O -1.236952 2.213637 -0.178938
O 0.191734 -3.321904 0.963905
N -0.260920 0.076013 -0.214585
C -0.442724 -1.375760 -0.451993
C 0.545913 -1.878598 -1.524005
C 1.996179 -1.660769 -1.062542
C 2.191051 -0.325349 -0.354485
C 1.101291 0.507490 0.046653
C -1.361912 0.955371 -0.264452
C -0.342526 -2.199318 0.848121
C 3.511561 0.091711 -0.057524
C 1.367801 1.723074 0.736556
C -2.765589 0.334266 -0.415219
C 3.777302 1.297454 0.618453
C 2.691896 2.110573 1.016905
C -3.853288 1.408694 -0.241265
H -1.466621 -1.541557 -0.823212
H 0.341072 -1.311759 -2.450829
H 0.362607 -2.947888 -1.725434
H 2.679862 -1.724421 -1.929196
H 2.283916 -2.480618 -0.376658
H 4.342460 -0.553132 -0.370719
H 0.540015 2.366282 1.031288
H -2.918296 -0.461396 0.337323
H -2.875228 -0.132881 -1.415655
H 4.808667 1.598229 0.831084
H 2.870860 3.051906 1.547776
H -3.758063 2.210551 -0.986872
H -3.797880 1.869452 0.756690
H -0.932850 -2.122168 2.725116
H -5.570635 0.383397 -1.691287


