%chk=000208595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208595

0 1
S 2.336654 -2.883461 0.073165
O -2.540847 -2.241306 -0.029088
O -4.009755 2.114658 -0.401914
N -3.305704 -0.088029 -0.217063
N -1.746864 1.746043 -0.124766
N 0.109930 -1.472275 0.332841
N 1.905479 -0.229794 -0.621658
C -0.905950 -0.493140 0.080026
C -2.268432 -1.055241 -0.054335
C -0.682108 0.852991 0.043241
C -3.099676 1.318696 -0.262375
C -4.706181 -0.564000 -0.383746
C -1.461891 3.201061 -0.190991
C 1.429055 -1.321972 -0.143031
C 3.315032 -0.019589 -0.973652
C 3.910979 1.036590 -0.058347
C 4.109203 0.617248 1.363067
C 4.248254 2.243416 -0.516551
C 2.541941 -2.968410 1.865398
H 0.325974 1.292574 0.131431
H -0.263305 -2.441059 0.321905
H -5.408329 0.119640 0.126303
H -4.810925 -1.578851 0.044482
H -4.973483 -0.605459 -1.453448
H -2.401218 3.767432 -0.362659
H -0.771601 3.426307 -1.022008
H -1.020416 3.554610 0.756016
H 3.322783 0.327651 -2.037090
H 3.948713 -0.937736 -0.945204
H 4.734967 -0.282496 1.433374
H 3.144688 0.389955 1.840583
H 4.592510 1.396280 1.967137
H 4.100201 2.560831 -1.536857
H 4.696277 3.009793 0.096506
H 1.582126 -2.896162 2.393003
H 3.204184 -2.178233 2.236631
H 2.991736 -3.941965 2.106372


%chk=000208595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208595

0 1
S 2.441608 -2.957696 -0.256531
O -2.410637 -2.297989 0.176394
O -4.100526 2.080687 -0.141891
N -3.260578 -0.103056 0.016384
N -1.787208 1.728027 -0.398793
N 0.137246 -1.482832 -0.245829
N 2.030321 -0.137455 -0.658761
C -0.867834 -0.499747 -0.239758
C -2.209586 -1.051936 -0.000893
C -0.698598 0.855400 -0.434724
C -3.109866 1.295012 -0.173974
C -4.643619 -0.580213 0.249256
C -1.554516 3.172732 -0.615444
C 1.502178 -1.298144 -0.412342
C 3.481893 0.078474 -0.815214
C 4.005691 1.129329 0.163274
C 3.787851 0.833030 1.634046
C 4.657023 2.236787 -0.277724
C 2.354307 -3.148781 1.628498
H 0.293318 1.269774 -0.623414
H -0.224651 -2.439909 -0.146073
H -5.058570 -0.102191 1.151370
H -4.598795 -1.671582 0.373772
H -5.281570 -0.312512 -0.608543
H -2.521591 3.688801 -0.527370
H -1.136064 3.345127 -1.622145
H -0.855863 3.563403 0.144142
H 3.664732 0.425083 -1.849697
H 4.041127 -0.874154 -0.669934
H 4.256633 -0.132104 1.913911
H 2.707443 0.744260 1.857230
H 4.213111 1.620983 2.278055
H 4.797644 2.434942 -1.347223
H 5.074449 2.973782 0.418169
H 1.307102 -3.203454 1.961759
H 2.872102 -2.310430 2.117652
H 2.868293 -4.094848 1.859062


