%chk=000271679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271679

0 1
S -2.367014 -1.511357 -0.605913
O -2.737101 -0.958133 -1.892767
O -2.875946 -2.793618 -0.172798
O -1.533268 2.327228 -0.071167
O -5.344151 2.226965 -0.291944
O -2.723510 2.532548 1.851575
O -5.586469 0.464689 1.126073
O 4.064092 0.691447 -0.408759
O 9.054622 1.046529 -0.186227
O 8.564169 -0.673374 1.162951
N -2.929576 -0.356927 0.563836
N 3.531504 -1.504335 0.062018
C -3.412794 0.937842 0.079439
C -0.663621 -1.478164 -0.407699
C 0.064670 -0.317294 -0.695714
C 0.005296 -2.626908 0.038293
C 2.117249 -1.450379 -0.106171
C 1.450152 -0.294463 -0.549787
C 1.387374 -2.626722 0.190513
C -2.566714 2.016697 0.776735
C -4.899757 1.141328 0.403999
C 5.882550 -0.807998 0.131216
C 4.435700 -0.422495 -0.109807
C 6.809341 0.355112 -0.217442
C -0.557506 3.332586 0.365065
C -6.757265 2.605623 -0.154992
C 0.348547 2.758464 1.431039
C -7.621127 1.657047 -0.955080
C 8.178133 0.135554 0.352779
H -3.281513 1.040059 -1.049715
H -3.445842 -0.692072 1.395967
H -0.452067 0.594055 -1.032964
H -0.565916 -3.536581 0.270029
H 2.011004 0.617585 -0.784684
H 1.890865 -3.526179 0.536736
H 3.908437 -2.414156 0.345494
H 6.030258 -1.101330 1.198992
H 6.164526 -1.707640 -0.457615
H 6.393899 1.322423 0.164203
H 6.865086 0.512865 -1.319405
H -0.039791 3.538352 -0.590063
H -1.113833 4.221798 0.710936
H -7.009822 2.617601 0.920005
H -6.727777 3.631155 -0.567689
H -0.205977 2.560387 2.361902
H 0.801911 1.808410 1.117894
H 1.165183 3.448511 1.676635
H -8.659589 2.005668 -1.007342
H -7.634320 0.650998 -0.507267
H -7.254729 1.544534 -1.984647
H 9.979127 0.952562 0.173434


%chk=000271679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271679

0 1
S -2.286132 -1.290506 -0.759616
O -2.596920 -0.531204 -2.173362
O -2.843895 -2.783794 -0.429091
O -1.705993 2.612289 0.015578
O -5.680141 2.136455 -0.231428
O -3.296670 2.952073 1.694207
O -5.620393 0.178445 1.042774
O 4.488067 0.641935 -0.589600
O 9.578149 0.243973 -0.531782
O 8.719856 -0.535980 1.479201
N -2.889683 -0.120485 0.605622
N 3.728159 -1.474247 0.087373
C -3.548090 1.086611 0.067860
C -0.431626 -1.304774 -0.492963
C 0.319466 -0.177211 -0.858910
C 0.135740 -2.467757 0.051041
C 2.327176 -1.369748 -0.122973
C 1.716052 -0.206798 -0.672160
C 1.530506 -2.494287 0.231859
C -2.876928 2.321182 0.702196
C -5.057139 1.064710 0.359958
C 6.124831 -0.970238 0.287632
C 4.720769 -0.512802 -0.127032
C 7.213457 -0.175466 -0.452248
C -0.861249 3.718373 0.581793
C -7.159846 2.273453 -0.004844
C 0.028705 3.196219 1.711471
C -7.937574 1.432193 -1.018520
C 8.533816 -0.198239 0.288225
H -3.396162 1.128024 -1.033295
H -3.554746 -0.685823 1.178737
H -0.168050 0.707763 -1.279344
H -0.496762 -3.322817 0.308980
H 2.337930 0.647337 -0.943834
H 2.001084 -3.391397 0.652309
H 4.049726 -2.369602 0.464586
H 6.243693 -0.802042 1.376924
H 6.253580 -2.057252 0.125610
H 6.883041 0.877949 -0.549771
H 7.368516 -0.536826 -1.483427
H -0.279118 4.063082 -0.287262
H -1.535149 4.519679 0.932248
H -7.377248 1.969122 1.033558
H -7.333812 3.353130 -0.131491
H -0.579899 2.857690 2.566323
H 0.658069 2.358038 1.366344
H 0.694064 4.007393 2.060822
H -9.021085 1.613509 -0.892572
H -7.748856 0.356632 -0.866138
H -7.660695 1.702598 -2.051798
H 10.426109 0.255932 -0.009671


