%chk=000274658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274658

0 1
S 3.395796 -0.823169 -1.043729
O -0.783175 -1.969374 1.332833
O 0.236190 2.571694 0.660142
N 1.107100 -1.362802 0.207034
N 1.612027 0.948133 -0.162897
C -0.722738 0.339203 0.584890
C -1.597242 0.323747 -0.726288
C -2.832660 -0.586688 -0.570151
C -0.176382 -1.080743 0.780688
C 0.370621 1.398890 0.403048
C -1.521075 0.713712 1.834950
C -2.020228 1.737878 -1.125152
C 1.976637 -0.394358 -0.309580
C -3.368092 -1.048315 -1.922609
C 1.566616 -2.782197 0.197810
C 2.607367 1.983755 -0.565944
H -0.948587 -0.092219 -1.540329
H -3.627772 -0.052483 -0.013364
H -2.592898 -1.478194 0.048071
H -0.879374 0.804771 2.720953
H -2.029596 1.680381 1.702890
H -2.285621 -0.042410 2.066224
H -2.503817 2.274360 -0.298490
H -2.737647 1.711535 -1.955750
H -1.174979 2.354778 -1.453488
H -4.261197 -1.672847 -1.796491
H -2.630859 -1.646064 -2.471476
H -3.650003 -0.203836 -2.562398
H 2.524052 -2.890175 0.738977
H 1.709117 -3.137142 -0.838971
H 0.813576 -3.425102 0.691908
H 2.218229 2.992255 -0.330006
H 2.808956 1.925738 -1.650880
H 3.561756 1.846189 -0.025826


%chk=000274658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274658

0 1
S 3.186119 -0.845333 -1.408958
O -0.705674 -1.916157 1.640441
O 0.318274 2.579902 0.962664
N 1.044991 -1.355025 0.199969
N 1.557430 0.958099 -0.174305
C -0.705232 0.363450 0.727062
C -1.513746 0.319828 -0.672545
C -2.758352 -0.608732 -0.580683
C -0.134071 -1.042141 0.937529
C 0.415939 1.391604 0.562215
C -1.610442 0.756159 1.911878
C -1.907437 1.735195 -1.155246
C 1.854601 -0.393199 -0.435426
C -3.238167 -1.096146 -1.966910
C 1.461274 -2.778991 0.141081
C 2.520407 1.994022 -0.625540
H -0.819638 -0.116436 -1.422032
H -3.579986 -0.062621 -0.077642
H -2.537407 -1.490928 0.048643
H -1.021283 0.824129 2.842274
H -2.068826 1.741469 1.736814
H -2.392096 -0.002595 2.062432
H -2.524421 2.261129 -0.405409
H -2.501470 1.654669 -2.082740
H -1.031351 2.368896 -1.374729
H -4.123546 -1.749265 -1.863418
H -2.449110 -1.678982 -2.478662
H -3.520885 -0.257184 -2.628569
H 2.476547 -2.894178 0.553065
H 1.471014 -3.123599 -0.905255
H 0.738398 -3.353376 0.737542
H 2.143109 2.964269 -0.272405
H 2.601145 1.976353 -1.724099
H 3.517985 1.794615 -0.202436


