%chk=000217083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217083

0 1
S -2.012093 -1.081877 -1.132786
S 0.979302 -0.436074 1.218035
S 3.836129 0.597384 0.902917
P -2.934576 0.112634 0.305541
O -4.450621 0.058448 -0.351035
O -2.454408 1.665154 0.050895
O -2.734599 -0.317176 1.702743
N 1.338950 -1.743654 -0.976244
N 2.496360 -1.091599 -0.758105
C -0.944314 -2.113668 -0.039300
C 0.400954 -1.534067 -0.057377
C 2.506808 -0.348634 0.349104
C 5.122586 0.292870 -0.359371
C 6.322107 1.101428 0.078370
C -5.509230 0.496613 0.534679
C -2.611401 2.182122 -1.290812
H -0.954849 -3.138977 -0.484529
H -1.363230 -2.219356 0.990714
H 5.343936 -0.791348 -0.421351
H 4.751683 0.594587 -1.359222
H 6.111138 2.179309 0.126380
H 6.702513 0.794510 1.063194
H 7.152450 0.974564 -0.633025
H -5.469004 1.584259 0.670400
H -5.481821 -0.033440 1.496673
H -6.415694 0.215454 -0.022223
H -3.612729 1.991650 -1.696934
H -1.820447 1.785922 -1.942420
H -2.461700 3.262861 -1.142811


%chk=000217083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217083

0 1
S -2.202307 -0.884912 -1.043141
S 0.881076 0.259890 0.999289
S 3.910487 0.984438 0.598477
P -3.120823 0.534691 0.547453
O -4.735986 0.752535 -0.035857
O -2.520189 2.121050 0.302379
O -2.909109 0.002286 2.029458
N 1.351686 -1.887652 -0.528322
N 2.588494 -1.224450 -0.445872
C -1.027879 -1.796940 0.182678
C 0.368298 -1.284988 0.138065
C 2.527391 -0.107978 0.289960
C 5.266314 0.050746 -0.376857
C 6.572522 0.842574 -0.256398
C -5.704886 -0.355540 0.135658
C -2.511976 2.703262 -1.061489
H -1.047344 -2.845173 -0.151692
H -1.492467 -1.698477 1.179143
H 5.331885 -0.957618 0.059447
H 4.907919 -0.034334 -1.414008
H 6.477271 1.857112 -0.681967
H 6.901531 0.933048 0.793792
H 7.367483 0.315297 -0.814887
H -5.868480 -0.564343 1.206868
H -5.354744 -1.265930 -0.385119
H -6.631020 0.013276 -0.328657
H -3.541503 2.802195 -1.444722
H -1.899056 2.083399 -1.741553
H -2.050391 3.692435 -0.930027


