%chk=000269010.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269010

0 1
S 3.084566 -1.731834 -0.441516
O 3.978264 -1.571119 -1.568534
O 3.460417 -2.530425 0.700192
O -0.133574 -0.723570 -1.936378
O -1.909497 3.121038 0.726894
N -2.234560 0.813934 -1.403559
N 1.691495 -2.529707 -1.185600
N 0.516561 -2.298895 -0.438402
C 2.537128 -0.191614 0.098099
C -2.513490 -0.083703 -0.387496
C -1.715451 -1.257290 -0.216700
C -2.724261 2.205967 -1.400606
C 2.144894 -0.015963 1.431196
C 2.494126 0.893297 -0.785265
C 1.657388 2.320787 0.991640
C -0.459193 -1.405452 -0.960971
C -3.635580 0.119162 0.474657
C -2.143189 -2.234457 0.711409
C 1.702311 1.228018 1.877170
C 2.055154 2.142323 -0.345679
C -4.000883 -0.848435 1.386135
C -3.263525 -2.047801 1.499109
C -1.738974 3.154933 -0.695210
C 1.177393 3.648263 1.466052
H -1.413678 0.633067 -2.015305
H -2.870431 2.521648 -2.460219
H -3.726714 2.276290 -0.913011
H 2.191933 -0.860013 2.129823
H 2.810401 0.765790 -1.827110
H 1.562987 -2.349257 -2.206267
H -4.217548 1.036318 0.383752
H -1.572624 -3.161446 0.811686
H 1.399877 1.356461 2.914682
H 2.035167 2.981749 -1.037168
H 0.221670 -3.152726 0.058809
H -4.870138 -0.695133 2.029349
H -3.580379 -2.810371 2.205619
H -1.947863 4.214163 -0.941422
H -0.684029 2.919190 -0.934781
H 0.071514 3.714084 1.401951
H 1.578361 4.484099 0.878048
H 1.439923 3.841532 2.515456
H -1.820351 2.200296 1.062172


%chk=000269010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269010

0 1
S 2.714684 -1.684353 0.082639
O 4.290949 -2.055284 -0.143385
O 1.803912 -2.356887 1.284309
O -0.367573 -0.476812 -1.727713
O -1.085977 3.374599 0.031752
N -2.437159 0.732366 -0.644527
N 1.459993 -2.481349 -1.620633
N 0.221556 -2.596477 -1.048600
C 2.601934 0.185144 0.376367
C -2.800807 -0.482823 -0.105689
C -1.969677 -1.658931 -0.315006
C -3.134125 2.001266 -0.409306
C 1.582952 0.656018 1.222433
C 3.514515 1.033593 -0.269932
C 2.352305 2.955976 0.757283
C -0.716566 -1.521286 -1.056877
C -3.988672 -0.623276 0.683823
C -2.383944 -2.906786 0.241267
C 1.470150 2.049838 1.411186
C 3.376025 2.427525 -0.072130
C -4.351430 -1.863767 1.222648
C -3.555352 -3.021731 0.999716
C -2.247722 3.183373 -0.841692
C 2.189040 4.451058 0.953722
H -1.630309 0.690432 -1.294258
H -4.095397 2.042782 -0.967950
H -3.366672 2.114187 0.667535
H 0.921363 -0.054211 1.729993
H 4.317569 0.622018 -0.890267
H 1.404210 -1.622598 -2.230461
H -4.631108 0.245979 0.848266
H -1.793373 -3.811240 0.056788
H 0.703284 2.442861 2.089027
H 4.073931 3.110792 -0.569248
H 0.144921 -3.364914 -0.377750
H -5.270256 -1.943264 1.814423
H -3.857164 -3.989372 1.410379
H -2.823096 4.119454 -0.758194
H -1.935836 3.059477 -1.901610
H 1.157374 4.763190 0.707078
H 2.887219 5.024198 0.320657
H 2.375506 4.736765 2.006190
H -0.485578 2.585672 -0.019551


