%chk=000264927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264927

0 1
S 5.749010 -1.175136 0.555590
O 0.933571 -1.495543 0.083939
O 1.050922 3.224409 0.276085
N 2.668720 1.584361 0.310551
N -1.596674 -0.310021 0.024221
C 2.786130 0.106307 0.236456
C 3.575483 -0.381099 -0.985855
C 1.302506 -0.336311 0.143174
C 0.469434 0.853434 0.147133
C 1.338515 2.040710 0.241019
C 5.079187 -0.222893 -0.840926
C -0.916305 0.883674 0.084333
C -1.668126 2.165227 0.086144
C -3.029487 -0.460226 -0.054592
C -3.653199 -1.321340 0.865809
C -3.772820 0.190911 -1.051347
C 5.409097 -2.890705 0.109435
C -5.032890 -1.517478 0.784795
C -5.153723 -0.014943 -1.112361
C -5.784761 -0.864242 -0.198396
H 3.237855 -0.290592 1.185329
H 3.234767 0.165168 -1.892771
H 3.311907 -1.446584 -1.172644
H 3.479248 2.178267 0.346215
H 5.593294 -0.515268 -1.776338
H 5.362291 0.831350 -0.645020
H -1.046016 -1.198490 0.069782
H -1.841154 2.535087 -0.937612
H -1.074949 2.976898 0.572481
H -2.636726 2.119664 0.601087
H -3.070027 -1.827636 1.634699
H -3.282345 0.836294 -1.778120
H 4.333171 -3.101510 0.086257
H 5.863179 -3.529711 0.879441
H 5.844938 -3.160532 -0.857428
H -5.525734 -2.182758 1.494625
H -5.739308 0.487752 -1.882745
H -6.861282 -1.020295 -0.253045


%chk=000264927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264927

0 1
S 5.786364 -1.071142 0.656382
O 0.704362 -1.397820 0.061086
O 1.262614 3.414523 0.170045
N 2.727208 1.559824 0.156651
N -1.619071 -0.044518 -0.035505
C 2.707224 0.087309 0.161015
C 3.469551 -0.576106 -1.010000
C 1.200033 -0.206971 0.092214
C 0.478876 1.044767 0.058295
C 1.461973 2.160460 0.129983
C 4.998967 -0.414734 -0.937952
C -0.932138 1.142667 -0.002279
C -1.628922 2.479906 0.010631
C -3.011566 -0.334329 -0.087900
C -3.404782 -1.609877 0.407508
C -3.997572 0.523732 -0.645950
C 5.405620 -2.906509 0.464142
C -4.754377 -2.009246 0.364926
C -5.348765 0.115752 -0.675111
C -5.738804 -1.144949 -0.170074
H 3.124020 -0.310733 1.110883
H 3.112154 -0.139659 -1.963995
H 3.192786 -1.647289 -1.020390
H 3.567576 2.118076 0.302589
H 5.484479 -0.930066 -1.785469
H 5.300563 0.647659 -0.971092
H -0.975598 -0.877161 0.019945
H -1.951893 2.768789 -1.007701
H -0.916760 3.249078 0.348383
H -2.521493 2.462362 0.659799
H -2.645055 -2.277721 0.830198
H -3.722596 1.485070 -1.082293
H 4.325012 -3.098127 0.551672
H 5.938072 -3.417962 1.280936
H 5.784539 -3.269103 -0.505201
H -5.037791 -2.993509 0.752885
H -6.098080 0.786674 -1.109538
H -6.789031 -1.452915 -0.200317


