%chk=000227826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227826

0 1
S 1.030839 2.112312 -1.278657
O -4.752166 -1.478140 -1.006892
O 5.350698 -2.149735 1.495875
O 6.717504 -0.810905 0.488628
N -4.200099 0.016412 0.657282
N 5.594292 -1.176307 0.799204
C -2.941667 0.468159 0.166006
C -0.470151 1.428515 -0.687406
C -2.247486 1.424227 0.945433
C -2.386156 -0.000340 -1.040854
C -1.012320 1.900330 0.512128
C -1.150159 0.484009 -1.463287
C 2.308861 1.097195 -0.632903
C -6.325067 -1.198108 0.823394
C -5.052446 -0.943969 0.036616
C 2.068369 -0.028287 0.161625
C 3.614426 1.488711 -0.968931
C 4.453392 -0.387725 0.300388
C 3.145663 -0.777831 0.632734
C 4.692924 0.743566 -0.500982
C -7.208971 -2.208922 0.103041
H -2.667848 1.793487 1.877595
H -2.922316 -0.740469 -1.647509
H -0.475805 2.639956 1.111483
H -0.720953 0.121849 -2.401435
H -4.502411 0.435967 1.539747
H -6.077365 -1.572548 1.839518
H -6.883120 -0.249183 0.970550
H 1.050155 -0.329413 0.416491
H 3.792456 2.368204 -1.591449
H 2.985026 -1.664329 1.256381
H 5.723007 1.025024 -0.746965
H -7.494866 -1.853774 -0.897217
H -8.127513 -2.409440 0.665619
H -6.687525 -3.165298 -0.046550


%chk=000227826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227826

0 1
S 1.082916 2.224920 -1.433026
O -4.871543 -1.544110 -1.085433
O 5.274152 -2.227839 1.619287
O 6.791356 -0.803886 0.677367
N -4.184883 -0.063324 0.602644
N 5.576847 -1.182139 0.918428
C -2.952585 0.421739 0.091120
C -0.479697 1.476419 -0.805451
C -2.236266 1.361116 0.885801
C -2.419618 0.014667 -1.163485
C -1.010108 1.888198 0.439451
C -1.188414 0.547379 -1.599858
C 2.375776 1.159123 -0.690245
C -6.297250 -1.280321 0.913096
C -5.070202 -0.992873 0.033499
C 2.089557 0.001465 0.076230
C 3.725066 1.541185 -0.926703
C 4.475295 -0.375700 0.362628
C 3.139836 -0.769214 0.605603
C 4.778739 0.775349 -0.402139
C -7.334082 -2.167466 0.202565
H -2.641055 1.684030 1.853432
H -2.970493 -0.702645 -1.773531
H -0.467985 2.615358 1.051876
H -0.777513 0.236280 -2.565654
H -4.461236 0.315419 1.512428
H -5.951225 -1.772669 1.845356
H -6.758225 -0.319411 1.220428
H 1.052563 -0.297225 0.254527
H 3.946362 2.435950 -1.518177
H 2.945623 -1.667265 1.198111
H 5.823605 1.049241 -0.569834
H -7.719730 -1.674636 -0.705900
H -8.183288 -2.381386 0.875153
H -6.881093 -3.122529 -0.110892


