%chk=000114751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114751

0 1
S -2.469160 2.294895 0.360323
O 0.467558 -1.426207 0.655285
O 4.788858 -0.890871 0.359348
O -3.858137 -1.790856 0.140649
O -2.829357 -0.987093 -1.683048
N -0.859065 0.267707 -0.036551
N 2.743152 -0.606715 -0.672038
C 1.594574 0.322923 -0.604983
C -2.050758 -0.344087 0.598479
C 2.099557 1.539877 0.221062
C 0.391958 -0.362663 0.068191
C 3.500589 1.169773 0.728580
C -2.849278 0.765557 1.279792
C -1.158246 1.547851 -0.693012
C 3.802931 -0.215934 0.181839
C -2.898098 -1.030199 -0.482534
H 1.319479 0.620020 -1.651122
H -1.718198 -1.136161 1.338422
H 1.422890 1.773593 1.063163
H 2.138317 2.444234 -0.412157
H 3.557483 1.155387 1.834165
H 4.273132 1.888739 0.396019
H -3.941100 0.578859 1.270317
H -2.552189 0.888530 2.339632
H -0.288495 2.228921 -0.744589
H -1.561697 1.383222 -1.720636
H 2.564712 -1.588772 -0.875944
H -4.440213 -2.283031 -0.501152


%chk=000114751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114751

0 1
S -2.497205 2.323234 0.286685
O 0.607387 -1.371681 0.774370
O 4.837078 -0.828562 0.337608
O -4.042934 -1.603776 0.243470
O -2.736494 -1.218707 -1.641463
N -0.847389 0.212292 -0.102046
N 2.774185 -0.469942 -0.750643
C 1.588041 0.377712 -0.668635
C -1.999802 -0.382306 0.588256
C 2.117633 1.623294 0.139545
C 0.424644 -0.340522 0.063538
C 3.315358 1.072877 0.949425
C -2.710708 0.761555 1.358169
C -1.199360 1.433057 -0.825105
C 3.774334 -0.177145 0.177151
C -2.926380 -1.085871 -0.416748
H 1.247757 0.674817 -1.678033
H -1.615987 -1.152061 1.284481
H 1.334781 2.068065 0.776449
H 2.459256 2.392421 -0.574927
H 3.023743 0.752431 1.965945
H 4.148063 1.786917 1.046972
H -3.782482 0.561180 1.492369
H -2.225347 0.935299 2.329790
H -0.339593 2.101185 -0.958795
H -1.688271 1.206076 -1.785309
H 2.777163 -1.359966 -1.250874
H -4.626274 -2.084375 -0.404146


