%chk=000181097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181097

0 1
S -1.245088 1.149585 1.124539
P -0.114421 -0.016091 -0.234158
O -0.309244 0.490771 -1.629002
N -0.598505 -1.685168 -0.008815
N 1.499312 0.073109 0.466866
C -0.667132 -2.122871 1.411460
C -1.835123 -2.006514 -0.773507
C 2.050925 1.456670 0.374337
C 2.413938 -0.922857 -0.167218
C -2.119564 2.269101 -0.019333
H 0.268805 -1.868211 1.944473
H -0.751485 -3.224949 1.434095
H -1.516965 -1.717986 1.988224
H -1.920471 -3.105628 -0.851737
H -1.761234 -1.621310 -1.811248
H -2.772125 -1.631306 -0.328870
H 2.120757 1.874610 -0.645235
H 3.069648 1.464135 0.802367
H 1.453915 2.145285 1.001677
H 2.000059 -1.945173 -0.074915
H 3.370214 -0.922950 0.386421
H 2.647996 -0.739111 -1.230030
H -1.928198 3.303374 0.286937
H -3.195016 2.068063 0.031458
H -1.797497 2.157521 -1.071486


%chk=000181097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181097

0 1
S -1.191702 1.533767 1.240134
P -0.213030 0.075364 -0.318176
O -0.646039 0.489594 -1.812438
N -0.672387 -1.572769 0.038951
N 1.457527 0.083331 0.196615
C -0.578917 -2.051470 1.431669
C -1.751150 -2.172937 -0.771091
C 2.143259 1.364321 0.463245
C 2.356960 -0.997334 -0.268720
C -2.253248 2.488932 -0.003796
H 0.297348 -1.602051 1.927514
H -0.454159 -3.149961 1.427431
H -1.487774 -1.800448 2.019285
H -1.552842 -3.254615 -0.889217
H -1.766197 -1.699360 -1.766223
H -2.748885 -2.046275 -0.298846
H 2.664225 1.752089 -0.437345
H 2.891954 1.209828 1.262911
H 1.416906 2.117228 0.810732
H 1.779188 -1.919708 -0.438471
H 3.116590 -1.190692 0.512263
H 2.881292 -0.723153 -1.208421
H -2.030659 3.560310 0.107835
H -3.314010 2.282927 0.199766
H -1.980748 2.145182 -1.018308


