%chk=000253865.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253865

0 1
S 2.257046 1.810523 0.014378
O -3.537268 2.340799 0.000233
O -3.958679 -2.262052 -0.021640
N -1.811132 -1.436810 -0.011804
N -0.475052 1.889728 0.006954
N -3.752502 0.045165 -0.010686
N 0.396115 -0.237212 -0.000140
C 5.834299 -0.240239 0.015184
C 4.766067 0.881717 0.017884
C 3.345565 0.342468 0.011057
C -1.562578 0.994418 -0.000186
C -0.995583 -0.310744 -0.004441
C 5.745185 -1.110743 1.272818
C 5.752413 -1.097918 -1.251711
C 0.668135 1.109542 0.006699
C -2.980503 1.262233 -0.003025
C -3.236040 -1.283988 -0.015194
C -1.215881 -2.794782 -0.016352
C -5.238209 0.152935 -0.014402
H 6.832686 0.271351 0.020618
H 4.940169 1.532633 -0.864580
H 4.935022 1.523511 0.908006
H 3.135041 -0.281227 -0.880466
H 3.129617 -0.289295 0.895571
H 6.578156 -1.821467 1.320447
H 4.820828 -1.698529 1.301067
H 5.777478 -0.506155 2.185556
H 5.789519 -0.484040 -2.158040
H 4.828441 -1.685667 -1.291020
H 6.585897 -1.807859 -1.301976
H -0.565073 2.892544 0.011204
H -0.584307 -2.931994 -0.911987
H -2.015844 -3.560568 -0.020962
H -0.587525 -2.939381 0.880388
H -5.538517 1.218107 -0.010757
H -5.661904 -0.341068 0.877040
H -5.656884 -0.333537 -0.912335


%chk=000253865-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253865

0 1
S 2.248772 2.004741 0.012727
O -3.630447 2.375040 0.002980
O -3.883021 -2.344740 -0.022182
N -1.741459 -1.380821 -0.012800
N -0.545778 1.964947 0.006935
N -3.732367 -0.005169 -0.009539
N 0.391001 -0.114161 -0.001995
C 5.806683 -0.326614 0.015609
C 4.805088 0.869180 0.016682
C 3.328443 0.437867 0.008981
C -1.608388 1.047075 0.000053
C -0.996826 -0.212978 -0.005239
C 5.686320 -1.199466 1.288904
C 5.695724 -1.189353 -1.265405
C 0.628525 1.227543 0.005469
C -3.027280 1.256693 -0.001631
C -3.159322 -1.307430 -0.015234
C -1.080998 -2.699222 -0.018574
C -5.212893 0.037408 -0.012175
H 6.817285 0.132662 0.021174
H 5.006956 1.500182 -0.871630
H 4.999800 1.492547 0.911957
H 3.051288 -0.131390 -0.890475
H 3.044550 -0.140134 0.900720
H 6.495646 -1.952088 1.322113
H 4.725628 -1.747374 1.316290
H 5.755944 -0.585527 2.206708
H 5.772132 -0.568167 -2.177780
H 4.735241 -1.736941 -1.304188
H 6.505256 -1.941757 -1.298608
H -0.648888 2.979608 0.012016
H -0.446462 -2.802208 -0.914861
H -1.870904 -3.464269 -0.023144
H -0.448296 -2.810871 0.877955
H -5.508651 1.096836 -0.007258
H -5.608780 -0.479234 0.877380
H -5.605326 -0.470015 -0.908537


