%chk=000101433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000101433

0 1
S 2.519880 -0.242828 -0.344572
O 1.338380 -0.081197 0.859868
O -0.101423 2.313807 0.686582
O 3.736051 0.096217 0.727072
O 2.458231 0.740493 -1.359987
O 2.532942 -1.648419 -0.641427
N -2.008798 -1.175951 -0.177004
N -2.035009 1.207865 0.105514
N -0.067242 -2.515296 0.284417
C -0.640241 -1.250023 0.169028
C 0.037296 -0.059270 0.413532
C -2.666389 0.108999 -0.164703
C -0.624927 1.259429 0.435140
C -4.116646 0.060911 -0.501171
H -2.540691 -2.030030 -0.331279
H -4.545096 1.085010 -0.501617
H -4.698926 -0.517005 0.231692
H -4.303153 -0.352207 -1.503510
H 0.960187 -2.557572 0.347010
H -0.459328 -3.281389 -0.244854
H 3.505100 0.730753 1.441770


%chk=000101433-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101433

0 1
S 3.306061 -0.224730 0.209250
O 0.920609 1.273809 -1.032363
O -1.016704 2.986628 0.139605
O 1.765471 -0.408749 1.335200
O 4.484820 -0.996015 0.983556
O 2.837568 -1.397621 -1.055868
N -1.834018 -0.988499 -0.385063
N -2.467925 1.183308 0.465527
N 0.283022 -1.421050 -1.461449
C -0.568628 -0.624422 -0.866488
C -0.189062 0.843711 -0.660914
C -2.712264 -0.096959 0.269371
C -1.250678 1.763610 0.012436
C -4.002927 -0.708710 0.752988
H -2.132727 -1.964549 -0.484664
H -4.604300 0.074500 1.232830
H -3.813420 -1.513831 1.487731
H -4.582218 -1.142043 -0.084118
H 1.831402 -1.241818 -1.357102
H -0.001114 -2.410383 -1.586052
H 2.027231 -1.093889 2.017090


