%chk=000271575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271575

0 1
S -1.630578 0.404743 0.888851
S 1.472779 -0.017943 0.494565
O -2.623611 1.423116 1.124809
O -0.495236 0.177385 1.761572
O 5.117606 -0.587428 -0.919743
O -1.851602 4.005366 -2.194803
O -0.404946 3.734944 -0.501227
O 4.275099 -1.154453 1.104614
N -0.870114 0.836216 -0.638247
C -2.408859 -1.075917 0.527450
C 0.497016 0.623247 -0.834054
C -1.563983 1.781817 -1.527329
C -3.781715 -1.097462 0.244436
C -1.681886 -2.275054 0.531615
C 1.256953 0.796236 -1.968863
C -3.692791 -3.503824 -0.051246
C -4.421670 -2.300092 -0.045381
C -2.317041 -3.480779 0.242197
C 2.872645 -0.116162 -0.540155
C 2.612599 0.373481 -1.792184
C -1.162060 3.228911 -1.283442
C -4.365515 -4.798151 -0.354795
C 4.094676 -0.664324 0.011046
C 6.438105 -1.060027 -0.511216
C 7.109686 -0.019497 0.361724
H -2.673021 1.697536 -1.388746
H -1.368291 1.528551 -2.600797
H -4.359378 -0.165302 0.260770
H -0.610362 -2.271574 0.770800
H 0.900574 1.194383 -2.904775
H -5.488853 -2.308233 -0.262500
H -1.745587 -4.408743 0.246802
H 3.350205 0.432748 -2.586403
H -5.405770 -4.678418 -0.687548
H -3.839164 -5.355847 -1.144813
H -4.387554 -5.451100 0.532791
H 6.926902 -1.186531 -1.493955
H 6.322717 -2.031905 0.001166
H -1.661853 4.976022 -2.093942
H 8.157230 -0.271935 0.557768
H 7.081110 0.974294 -0.103078
H 6.600434 0.066203 1.334364


%chk=000271575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271575

0 1
S -1.792382 0.690312 0.539609
S 1.261430 -0.815868 -1.226576
O -3.082805 1.705917 0.508128
O -0.650608 0.744129 1.702824
O 5.249527 -0.190405 -1.047161
O -2.523758 4.199593 -1.972022
O -0.706753 3.838889 -0.569509
O 4.040337 -2.198820 -0.926000
N -0.854415 0.905106 -1.396582
C -2.458200 -1.066970 0.473390
C 0.512914 0.862966 -1.303635
C -1.579650 2.009971 -2.043595
C -3.751843 -1.267861 -0.031883
C -1.638433 -2.107080 0.944606
C 1.523429 1.850409 -1.289567
C -3.455100 -3.682247 0.385509
C -4.243176 -2.592229 -0.068220
C -2.153838 -3.419319 0.893579
C 2.892246 -0.076380 -1.163387
C 2.840445 1.322239 -1.231158
C -1.517741 3.409656 -1.413909
C -3.991376 -5.101272 0.347720
C 4.069428 -0.944710 -1.031086
C 6.520718 -0.960582 -0.878456
C 6.829757 -1.178300 0.605450
H -2.646432 1.737891 -2.104759
H -1.206373 2.088523 -3.083747
H -4.360843 -0.418857 -0.358120
H -0.644094 -1.895090 1.349541
H 1.287049 2.914823 -1.264594
H -5.252809 -2.777785 -0.451462
H -1.535513 -4.249700 1.253450
H 3.747220 1.929124 -1.202168
H -4.963442 -5.155873 -0.170382
H -3.290213 -5.780587 -0.170628
H -4.132088 -5.499356 1.370336
H 7.273172 -0.323835 -1.370598
H 6.422372 -1.921396 -1.413649
H -2.510871 5.102749 -1.553957
H 7.814338 -1.670736 0.711332
H 6.863958 -0.216972 1.146246
H 6.069314 -1.825569 1.073190


