%chk=000216504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216504

0 1
S -1.738551 0.028475 0.020790
O -2.447826 -1.225274 0.121594
O -2.450592 1.277923 -0.062628
N -0.563351 0.113666 1.301494
N 1.070691 1.459225 -0.054431
N 0.984739 -1.479125 0.071229
N 0.258393 -1.356445 -1.141916
C -0.555165 -0.106062 -1.315301
C 0.324082 1.167642 -1.308596
C 0.239252 1.367659 1.180637
C 0.246630 -1.137682 1.340936
C 2.360767 0.727838 0.054887
C 2.314135 -0.813657 -0.058020
H -1.035698 -0.186400 -2.324193
H 1.051496 1.102648 -2.150855
H -0.323525 2.055681 -1.514803
H 0.890396 1.473776 2.080165
H -0.469226 2.239300 1.188204
H -0.448542 -1.991586 1.561816
H 0.974733 -1.087982 2.183003
H 2.838289 1.021940 1.016032
H 3.028319 1.130349 -0.742496
H -0.377624 -2.180243 -1.203405
H 2.742116 -1.125991 -1.041268
H 2.967962 -1.270874 0.717624


%chk=000216504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216504

0 1
S -2.854300 0.151676 0.765701
O -3.200514 0.013747 -0.832651
O -2.762121 -1.299721 1.521441
N -0.449968 0.300295 0.449145
N 1.415527 1.558581 -0.313913
N 1.087616 -1.524735 0.247977
N 0.369240 -1.411934 -1.034743
C -0.254165 -0.064309 -1.041140
C 0.736371 1.040169 -1.545414
C 0.286470 1.622330 0.628842
C 0.151760 -0.866330 1.203464
C 2.552812 0.712548 0.169231
C 2.431565 -0.876087 0.130027
H -1.231459 -0.074977 -1.561044
H 1.456753 0.622502 -2.262514
H 0.184557 1.870011 -2.021374
H 0.606242 1.756286 1.672603
H -0.397942 2.436813 0.335414
H -0.681467 -1.553199 1.460314
H 0.658310 -0.528004 2.120726
H 2.761029 1.040889 1.204623
H 3.443991 0.976693 -0.429580
H -0.330083 -2.169345 -1.074659
H 2.840463 -1.255460 -0.820124
H 3.061213 -1.273639 0.948147


