%chk=000215589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215589

0 1
S -2.873029 1.347449 -0.499217
O 6.626620 0.047002 0.771607
O 0.559339 1.724693 -1.055472
O -0.071489 -0.241535 -0.127795
N 4.087168 0.889008 -0.227021
C 5.236800 0.640240 -1.157802
C 4.186182 -0.022912 0.960802
C 2.775495 0.715873 -0.926221
C 6.545311 0.895413 -0.391314
C 5.519471 0.248716 1.674484
C 1.806373 1.725382 -0.295876
C -0.325546 0.691405 -0.854312
C -1.550912 0.945216 -1.670070
C -3.647611 -0.199626 -0.192426
C -4.992456 -2.567333 0.412384
C -4.995994 -0.330528 -0.536206
C -2.959996 -1.235946 0.443544
C -5.668987 -1.514649 -0.228204
C -3.633810 -2.421985 0.740966
C -5.710448 -3.838902 0.725171
H 5.241237 -0.389105 -1.576227
H 5.158160 1.347713 -2.010525
H 3.337760 0.194668 1.644187
H 4.117342 -1.098435 0.687809
H 2.354519 -0.311851 -0.850672
H 2.871964 0.931189 -2.012003
H 7.434291 0.590985 -0.970445
H 6.633726 1.949565 -0.073960
H 5.567628 1.275619 2.077578
H 5.725250 -0.487969 2.470411
H 2.139414 2.772674 -0.414937
H 1.584171 1.505134 0.761322
H -1.425573 1.812764 -2.356424
H -1.799256 0.069823 -2.303039
H -5.525317 0.480851 -1.038265
H -1.898836 -1.127635 0.701899
H -6.720009 -1.621737 -0.487832
H -3.101477 -3.234103 1.232704
H -6.772198 -3.673836 0.953615
H -5.276707 -4.364676 1.586727
H -5.666767 -4.530218 -0.130246


%chk=000215589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215589

0 1
S -2.856394 1.212464 -0.943635
O 6.803220 0.236734 0.927707
O 0.624124 1.464130 -1.202203
O 0.112556 -0.625984 -0.295039
N 4.251713 0.961820 -0.247215
C 5.518728 1.124522 -1.004719
C 4.363098 -0.169426 0.711882
C 3.043314 0.893696 -1.097173
C 6.680001 1.354754 -0.022544
C 5.540686 0.075021 1.669291
C 1.853349 1.532477 -0.356283
C -0.170861 0.329133 -1.058817
C -1.411272 0.444151 -1.919835
C -3.769601 -0.289015 -0.373910
C -5.308033 -2.494249 0.574316
C -5.182717 -0.214582 -0.360487
C -3.117207 -1.455218 0.089231
C -5.937857 -1.305836 0.122197
C -3.890494 -2.546525 0.545312
C -6.127644 -3.680223 1.052624
H 5.745890 0.226221 -1.631635
H 5.428802 1.999233 -1.676087
H 3.427495 -0.258091 1.293685
H 4.521636 -1.137493 0.174237
H 2.783014 -0.151053 -1.388025
H 3.225807 1.460791 -2.028145
H 7.646445 1.400805 -0.551191
H 6.510247 2.302076 0.533503
H 5.342958 0.984772 2.276119
H 5.699259 -0.789514 2.334686
H 2.021520 2.607208 -0.194976
H 1.652524 1.023701 0.602135
H -1.237617 1.120220 -2.769216
H -1.738145 -0.547458 -2.264857
H -5.688435 0.684266 -0.729903
H -2.022993 -1.510977 0.112324
H -7.032382 -1.234802 0.133856
H -3.376531 -3.448116 0.900619
H -7.069288 -3.356106 1.530066
H -5.567606 -4.291188 1.782250
H -6.399507 -4.343939 0.208554


