%chk=000213216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213216

0 1
S 1.998771 0.022403 -1.009293
O 4.633558 0.016125 -0.777683
O -4.438276 -1.089659 0.332265
O -4.439312 1.073139 0.375996
N -3.885876 -0.005708 0.241004
C 0.278212 0.012989 -0.585241
C 2.744982 -0.011816 0.648436
C -0.390098 -1.209484 -0.481319
C -0.391352 1.229629 -0.432475
C -2.432657 0.000902 -0.051470
C -1.760690 -1.220506 -0.212252
C -1.761953 1.228457 -0.163208
C 4.228557 -0.009321 0.359849
C 5.124552 -0.040029 1.560064
H 2.440350 0.863146 1.251215
H 2.436171 -0.907952 1.216896
H 0.146192 -2.151785 -0.617007
H 0.143970 2.177161 -0.530291
H -2.312653 -2.163100 -0.127313
H -2.314875 2.166328 -0.040585
H 6.185616 -0.032206 1.260521
H 4.969747 0.827556 2.215037
H 4.970063 -0.940668 2.168954


%chk=000213216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213216

0 1
S 1.951331 1.204021 -0.478528
O 4.857711 1.145775 -0.157080
O -4.278534 -1.335767 0.741778
O -4.789579 0.427034 -0.617637
N -3.943353 -0.314207 0.021168
C 0.220799 0.667973 -0.264894
C 2.864681 -0.070908 0.562664
C -0.199971 -0.443114 0.513037
C -0.751209 1.452357 -0.948901
C -2.511513 0.024999 -0.078537
C -1.565858 -0.766863 0.607690
C -2.115279 1.136415 -0.859337
C 4.373739 0.200950 0.512589
C 5.235989 -0.752482 1.329065
H 2.515065 -0.020488 1.610423
H 2.660446 -1.085926 0.174201
H 0.520718 -1.064848 1.050455
H -0.433371 2.310669 -1.550553
H -1.910476 -1.617930 1.201145
H -2.874253 1.727968 -1.377542
H 6.295049 -0.471205 1.228494
H 4.949816 -0.723421 2.397348
H 5.101051 -1.795400 0.985052


