%chk=000185276.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185276

0 1
S -3.162169 -0.061024 0.456949
O -1.382480 -0.288232 -1.462528
N -0.742972 1.105338 0.278051
C 0.636406 1.413354 -0.236116
C 0.630809 1.805132 -1.728218
C 1.587296 0.254887 0.024903
C -1.020530 1.556835 1.672858
C -0.025631 3.159707 -1.966020
C -1.580441 0.234089 -0.384721
C 2.620755 0.420480 0.959716
C 1.459949 -0.963975 -0.654646
C -0.634309 0.508694 2.711889
C 3.515941 -0.623134 1.210045
C 2.355408 -2.006253 -0.400546
C 3.384789 -1.838592 0.530952
C -4.040671 -1.090381 -0.775115
C -4.536557 -2.336256 -0.079686
H 0.987018 2.311534 0.348977
H 0.116135 1.024263 -2.332476
H 1.677311 1.818337 -2.093775
H -0.448223 2.498033 1.847999
H -2.094205 1.842153 1.773179
H 0.505255 3.971207 -1.457550
H -0.048153 3.400413 -3.035795
H -1.064645 3.167844 -1.611694
H 2.733172 1.362675 1.492538
H 0.652122 -1.101255 -1.381947
H -1.240219 -0.403562 2.620472
H 0.414853 0.199810 2.610169
H -0.774946 0.890314 3.728980
H 4.316841 -0.488589 1.934549
H 2.248854 -2.951207 -0.931171
H 4.081744 -2.650866 0.726548
H -4.867354 -0.486923 -1.193863
H -3.351151 -1.331131 -1.616473
H -3.711278 -2.939563 0.325363
H -5.213376 -2.111718 0.755496
H -5.089948 -2.980040 -0.778293


%chk=000185276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185276

0 1
S -3.401728 0.276064 0.528050
O -1.516573 -0.249086 -1.415142
N -0.766434 1.120371 0.340239
C 0.626306 1.309602 -0.222105
C 0.634571 1.766631 -1.707621
C 1.560285 0.118274 0.033672
C -1.036832 1.710527 1.679362
C -0.199944 3.038714 -1.958363
C -1.700889 0.356900 -0.322596
C 2.655592 0.275978 0.920798
C 1.385731 -1.131612 -0.618457
C -0.686100 0.769318 2.851510
C 3.557763 -0.785331 1.161259
C 2.282551 -2.194704 -0.373379
C 3.371155 -2.028082 0.514896
C -4.231794 -0.899936 -0.704079
C -4.013618 -2.374855 -0.343098
H 1.022286 2.161717 0.365206
H 0.280010 0.948154 -2.354431
H 1.694823 1.954495 -1.967854
H -0.451803 2.645877 1.750745
H -2.100957 2.002758 1.733497
H 0.142622 3.880836 -1.325994
H -0.115692 3.355296 -3.013625
H -1.269200 2.864903 -1.744377
H 2.808270 1.239954 1.424350
H 0.542956 -1.265896 -1.303419
H -1.289442 -0.153081 2.798071
H 0.380758 0.488089 2.835681
H -0.902572 1.268336 3.814310
H 4.399864 -0.642940 1.848067
H 2.133488 -3.155247 -0.879818
H 4.066011 -2.855348 0.698760
H -5.295950 -0.610289 -0.686763
H -3.795305 -0.659167 -1.687135
H -2.939185 -2.623229 -0.375755
H -4.397600 -2.607503 0.665549
H -4.538023 -3.024088 -1.071009


