%chk=000180662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180662

0 1
S 3.306049 0.986745 0.810511
O 2.762742 -0.691939 -1.178532
N 1.336920 -0.772025 0.640250
C -0.942358 -1.062581 -0.363525
C -1.821077 -0.697371 0.841184
C 0.376302 -1.734313 0.041784
C -3.135969 -0.124711 0.381782
C -3.245335 1.243678 0.089747
C -4.256840 -0.955822 0.235428
C 4.743975 1.261231 -0.277406
C 5.998286 0.767225 0.428890
C 2.406592 -0.302931 -0.091063
C -4.464844 1.773026 -0.339987
C -5.474367 -0.420895 -0.194380
C -5.581748 0.943232 -0.482326
C 7.241287 1.032227 -0.420103
H -1.501350 -1.743628 -1.038152
H -0.739068 -0.156380 -0.970753
H -1.988498 -1.590940 1.476240
H -1.296772 0.030597 1.492485
H 0.200046 -2.549557 0.778885
H 0.848960 -2.207087 -0.854567
H 1.056540 -0.337849 1.516128
H -2.379593 1.894326 0.195689
H -4.180699 -2.018395 0.455331
H 4.790356 2.343272 -0.502695
H 4.586739 0.734306 -1.245929
H 6.112082 1.257947 1.417299
H 5.918349 -0.320108 0.639956
H -4.544965 2.835431 -0.564964
H -6.341772 -1.069602 -0.305336
H -6.530318 1.357650 -0.816250
H 7.382204 2.101253 -0.615308
H 8.145129 0.669572 0.083423
H 7.184013 0.524514 -1.390636


%chk=000180662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180662

0 1
S 3.259561 0.854489 1.454326
O 2.499864 -0.396268 -0.913827
N 1.379566 -1.056248 1.027469
C -0.815260 -1.334065 -0.201409
C -1.728423 -0.742241 0.906133
C 0.466514 -2.001096 0.349352
C -2.979285 -0.090838 0.333415
C -2.944602 1.246772 -0.140271
C -4.193421 -0.815778 0.219813
C 4.503249 1.483221 0.172507
C 5.798738 0.655748 0.141160
C 2.303990 -0.317300 0.326262
C -4.089968 1.843587 -0.713006
C -5.342389 -0.223474 -0.352595
C -5.294156 1.109437 -0.822147
C 6.797062 1.217883 -0.897603
H -1.381842 -2.092048 -0.777717
H -0.529061 -0.540896 -0.916774
H -2.011239 -1.552123 1.608460
H -1.147830 0.003810 1.483450
H 0.206332 -2.795607 1.074233
H 1.025559 -2.464659 -0.482279
H 1.308934 -0.924487 2.037714
H -2.014835 1.823692 -0.055561
H -4.239320 -1.849189 0.586686
H 4.686401 2.538122 0.439520
H 3.974945 1.430953 -0.795835
H 6.263354 0.647198 1.145546
H 5.547345 -0.391944 -0.107913
H -4.045456 2.878852 -1.070161
H -6.272931 -0.797752 -0.428531
H -6.184178 1.571537 -1.263906
H 7.084407 2.258852 -0.656951
H 7.719502 0.609932 -0.923158
H 6.359872 1.212025 -1.913303


