%chk=000180078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180078

0 1
S -4.002661 -0.654297 -0.068913
P -2.144592 -0.660945 0.092016
O -1.362315 0.579350 -0.666476
O -1.580371 -0.595365 1.650062
O -1.380800 -1.998065 -0.521796
C 0.529175 -0.658180 0.339157
C 0.073517 0.615596 -0.437619
C 2.058086 -0.686859 0.523250
C -0.138295 -0.700761 1.735185
C 0.063016 -1.906119 -0.451529
C 0.433880 1.966392 0.238899
C 2.852944 -0.706663 -0.789622
C 0.823405 2.983511 -0.840847
C -0.704373 2.518338 1.096912
C 4.356073 -0.690030 -0.524651
H 0.484744 0.583974 -1.478229
H 2.340519 -1.567854 1.135033
H 2.366309 0.199832 1.120200
H 0.058076 -1.650550 2.270193
H 0.162180 0.149059 2.379697
H 0.408862 -1.900669 -1.503714
H 0.377888 -2.852764 0.029062
H 1.326920 1.796059 0.895124
H 2.578031 0.164877 -1.417616
H 2.593542 -1.604526 -1.384943
H -0.004852 3.153611 -1.542593
H 1.067992 3.956129 -0.397818
H 1.693559 2.661439 -1.420509
H -1.612595 2.676778 0.494741
H -0.438189 3.482860 1.541420
H -0.983139 1.842532 1.914239
H 4.665816 0.209189 0.020773
H 4.677726 -1.557566 0.063575
H 4.922121 -0.709113 -1.464361


%chk=000180078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180078

0 1
S -4.265480 -0.608920 -0.128762
P -2.249834 -0.631460 0.063365
O -1.340596 0.566332 -0.823948
O -1.590946 -0.423445 1.672508
O -1.394013 -2.090681 -0.405966
C 0.553256 -0.638946 0.326981
C 0.127373 0.659622 -0.445139
C 2.093992 -0.714669 0.543657
C -0.129326 -0.749468 1.720477
C 0.082236 -1.855200 -0.531092
C 0.418079 2.060771 0.162624
C 2.973846 -0.752805 -0.730112
C 0.492380 3.092941 -0.992663
C -0.596697 2.545652 1.226064
C 4.473086 -0.857309 -0.376087
H 0.627480 0.617233 -1.432007
H 2.307621 -1.624720 1.142893
H 2.410795 0.143185 1.170055
H -0.025180 -1.777518 2.116618
H 0.301761 -0.035143 2.441783
H 0.307376 -1.706071 -1.602839
H 0.542976 -2.794825 -0.178854
H 1.424010 2.002893 0.631119
H 2.805523 0.157137 -1.338251
H 2.689808 -1.614534 -1.365177
H -0.471909 3.133355 -1.530947
H 0.708807 4.103654 -0.602386
H 1.282895 2.833964 -1.722600
H -1.601844 2.635770 0.779456
H -0.292760 3.543522 1.591623
H -0.683001 1.873130 2.093793
H 4.802286 0.010793 0.225167
H 4.679535 -1.770843 0.212634
H 5.098664 -0.894195 -1.285685


