%chk=000181455.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181455

0 1
S -7.107651 -0.469226 -1.141520
O 2.786618 -1.455120 0.287621
O 2.332528 2.422435 -0.451241
O 2.931615 -3.657667 0.710868
O 2.432949 3.403817 4.197483
O 2.593859 1.791584 -5.068627
O -4.074426 -1.658603 -0.737282
O -4.287204 1.722534 -0.277125
N -3.788984 -0.522492 1.238191
N -5.063462 0.066658 1.120486
C 1.736875 -0.405516 0.075114
C 0.438138 -1.198842 0.209499
C 1.919056 0.610126 1.158802
C 1.951911 0.143582 -1.300346
C 0.738866 -2.553851 0.472812
C 2.209869 1.947083 0.848734
C 2.243103 1.505755 -1.493967
C 2.223465 -2.710182 0.521166
C -0.872062 -0.766695 0.110077
C 1.842802 0.253588 2.521972
C 1.905276 -0.684067 -2.437646
C -0.256926 -3.501439 0.636747
C -1.886439 -1.731561 0.280882
C 2.386303 2.940053 1.821212
C 2.453497 2.072970 -2.753209
C -1.594446 -3.074029 0.535218
C 2.012870 1.198050 3.522317
C 2.111159 -0.168793 -3.712500
C 2.282803 2.535778 3.156148
C 2.382296 1.208375 -3.852489
C -3.316821 -1.310310 0.149047
C -5.227125 1.041150 0.070350
C -6.615223 1.148559 -0.484985
H -1.111763 0.276231 -0.106745
H 1.649291 -0.789853 2.785234
H 1.705051 -1.751390 -2.309271
H -0.014310 -4.547287 0.835562
H 2.601874 3.962016 1.526307
H 2.670134 3.132516 -2.876148
H -2.404351 -3.798644 0.649266
H 1.956151 0.935896 4.577284
H 2.070502 -0.817556 -4.581647
H 2.633591 4.329152 3.897337
H 2.541203 1.140265 -5.815959
H -3.134208 0.064088 1.775268
H -5.809502 -0.644760 1.241634
H -6.653567 1.928338 -1.278256
H -7.361003 1.457628 0.277662
H -5.903483 -0.909542 -1.599536


%chk=000181455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181455

0 1
S -8.019107 -0.187404 -0.434067
O 2.990227 -1.375624 0.368353
O 2.779960 2.378850 -0.411214
O 3.226274 -3.655874 0.834369
O 2.395908 3.573655 4.264940
O 2.814052 1.760277 -5.132327
O -4.051043 -2.735381 0.138513
O -4.606743 2.038610 0.135921
N -3.643195 -0.472752 0.194753
N -5.013482 -0.230289 0.088345
C 1.806269 -0.370153 0.118030
C 0.595564 -1.291899 0.261960
C 1.903984 0.698236 1.184103
C 1.996694 0.192600 -1.273872
C 1.000623 -2.610964 0.542224
C 2.419468 1.982686 0.889419
C 2.511412 1.499027 -1.475652
C 2.489529 -2.677326 0.611112
C -0.764593 -0.968278 0.142779
C 1.563539 0.429331 2.537238
C 1.751388 -0.592749 -2.428169
C 0.064852 -3.652047 0.707384
C -1.723643 -2.003144 0.315639
C 2.597519 2.968933 1.881502
C 2.779631 2.014397 -2.757012
C -1.302467 -3.336113 0.589659
C 1.727839 1.386322 3.547147
C 2.007173 -0.108787 -3.720937
C 2.252446 2.661836 3.212732
C 2.529416 1.203672 -3.879062
C -3.203854 -1.783299 0.207735
C -5.439367 1.074614 0.066214
C -6.943360 1.314484 -0.005977
H -1.053183 0.059755 -0.103780
H 1.172195 -0.559304 2.799547
H 1.362182 -1.609055 -2.306705
H 0.404594 -4.670413 0.919730
H 2.996400 3.946232 1.589140
H 3.174181 3.025456 -2.876603
H -2.078661 -4.099918 0.698900
H 1.471207 1.175131 4.588152
H 1.813340 -0.741022 -4.595693
H 2.777176 4.431077 3.951292
H 2.620653 1.118780 -5.860080
H -3.091923 0.386423 0.294495
H -5.615971 -1.063449 0.044223
H -7.134173 2.128302 -0.721922
H -7.301388 1.647395 0.982820
H -7.748843 -0.190035 -1.793496


