%chk=000229614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229614

0 1
S -0.023068 -2.354108 0.600208
O 0.297966 -3.412024 1.530075
O -0.127384 -2.625718 -0.812186
N -1.537326 -1.767364 1.193025
C 3.351782 -0.051098 0.435774
C 4.739927 -0.338665 -0.152089
C 2.416940 -1.257390 0.264120
C 5.677939 0.864349 0.014957
C 1.030673 -0.976462 0.850457
C 7.065921 0.576687 -0.572747
C 8.006572 1.778670 -0.407211
C -2.377855 -0.818894 0.555197
C 9.389377 1.497385 -0.990689
C -3.433009 -0.264930 1.264603
C -4.255517 0.731255 0.664160
C -2.122461 -0.415261 -0.797980
C -3.988781 1.152868 -0.665792
C -2.908960 0.544118 -1.379672
C -5.347955 1.327911 1.375040
C -4.810557 2.160599 -1.260240
C -6.119460 2.292734 0.778406
C -5.848874 2.717071 -0.555978
H 2.914031 0.840585 -0.053640
H 3.444165 0.207622 1.508464
H 5.181110 -1.229283 0.336737
H 4.650175 -0.598512 -1.225098
H 2.867918 -2.146172 0.755193
H 2.331262 -1.508988 -0.815865
H 5.239942 1.755304 -0.475170
H 5.770717 1.124547 1.087123
H 0.615690 -0.049088 0.398259
H 1.126647 -0.722591 1.928121
H 7.506801 -0.313662 -0.084357
H 6.976508 0.316257 -1.645042
H 8.099948 2.039006 0.665338
H 7.568732 2.670001 -0.897803
H -1.937496 -2.212723 2.031314
H 9.868635 0.642326 -0.500384
H 10.053939 2.359990 -0.868177
H 9.337898 1.273021 -2.062240
H -3.651320 -0.573017 2.283220
H -1.341030 -0.909886 -1.383941
H -2.726565 0.852316 -2.410712
H -5.550076 0.998566 2.392271
H -4.596089 2.474627 -2.280952
H -6.951641 2.750384 1.312227
H -6.479894 3.484039 -0.999824


%chk=000229614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229614

0 1
S -0.120569 -2.587130 0.698682
O 0.135194 -3.743187 1.812424
O -0.094324 -2.942679 -0.888590
N -1.710224 -1.883986 1.227442
C 3.372521 -0.132297 0.519684
C 4.756400 -0.353353 -0.133645
C 2.437047 -1.357495 0.342616
C 5.692315 0.866335 0.022138
C 1.085020 -1.091025 0.998421
C 7.079564 0.658107 -0.626617
C 8.011720 1.881909 -0.474005
C -2.448997 -0.868678 0.574468
C 9.396431 1.668889 -1.123010
C -3.527252 -0.271266 1.250043
C -4.289868 0.771735 0.637539
C -2.105700 -0.430637 -0.753511
C -3.928378 1.232956 -0.688284
C -2.827003 0.600610 -1.351575
C -5.398751 1.393928 1.305462
C -4.684064 2.289195 -1.293823
C -6.115121 2.423324 0.690888
C -5.757430 2.876837 -0.619873
H 2.897150 0.766164 0.075148
H 3.508412 0.081750 1.599545
H 5.237133 -1.246432 0.315833
H 4.621751 -0.579411 -1.211451
H 2.909516 -2.251053 0.793337
H 2.295607 -1.565823 -0.734721
H 5.209516 1.759461 -0.427023
H 5.824312 1.093235 1.100849
H 0.544312 -0.233289 0.565150
H 1.109802 -1.033742 2.098469
H 7.567514 -0.231379 -0.176146
H 6.951032 0.429039 -1.705209
H 8.138999 2.110591 0.603936
H 7.523000 2.770042 -0.924389
H -2.121205 -2.448581 1.977647
H 9.917948 0.805191 -0.668973
H 10.043134 2.556930 -0.999412
H 9.299948 1.469179 -2.206994
H -3.787725 -0.595648 2.265209
H -1.315435 -0.948113 -1.307188
H -2.563923 0.923025 -2.366158
H -5.676888 1.049478 2.308843
H -4.406686 2.630022 -2.298669
H -6.959342 2.889780 1.210847
H -6.330515 3.683899 -1.088856


