%chk=000244768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244768

0 1
S -0.873961 1.896629 -0.865046
O -1.310628 2.338834 -2.178430
O -0.592997 2.886495 0.144746
N 1.175451 0.449968 -0.175016
N 0.589897 1.038151 -1.263690
C 4.533036 -1.994935 -0.307326
C 3.456771 -2.062896 0.784424
C 3.978010 -1.354115 -1.586581
C 2.873425 -0.674844 1.085204
C 3.401476 0.042416 -1.308123
C 2.393469 -0.010836 -0.185971
C -1.939548 0.697086 -0.258236
C -1.788830 0.210392 1.044766
C -2.969585 0.206020 -1.071742
C -3.700720 -1.248908 0.726843
C -2.665478 -0.757744 1.538498
C -3.847736 -0.759442 -0.585026
C -4.647818 -2.280689 1.241278
H 5.403377 -1.416270 0.057194
H 4.911389 -3.010545 -0.528181
H 3.879484 -2.497720 1.709269
H 2.642956 -2.744388 0.466757
H 3.187894 -2.000592 -2.017265
H 4.772252 -1.284503 -2.353082
H 3.640189 -0.025574 1.556130
H 2.052411 -0.760358 1.826759
H 2.965756 0.455453 -2.238205
H 4.216603 0.740125 -1.021782
H 1.143973 1.276931 -2.098592
H -0.980379 0.587703 1.682062
H -3.087499 0.587227 -2.093815
H -2.542848 -1.129343 2.553631
H -4.648139 -1.135349 -1.218962
H -5.677529 -1.892706 1.275444
H -4.662166 -3.171401 0.595391
H -4.401361 -2.623674 2.255073


%chk=000244768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244768

0 1
S -0.866530 1.979569 -0.660788
O -1.341731 2.628271 -2.077008
O -0.507491 2.907577 0.626691
N 1.309842 0.388665 -0.112984
N 0.638185 0.881344 -1.221734
C 4.720340 -2.010582 -0.423952
C 3.765390 -2.025772 0.792301
C 4.012164 -1.466239 -1.686155
C 3.179064 -0.611478 1.059703
C 3.422313 -0.044232 -1.445358
C 2.555781 -0.030439 -0.194049
C -2.081926 0.662261 -0.114143
C -2.169198 0.372355 1.254769
C -2.875987 0.044080 -1.093933
C -3.936589 -1.261790 0.711399
C -3.110641 -0.602056 1.657738
C -3.807669 -0.923422 -0.663858
C -4.950503 -2.302154 1.151534
H 5.600308 -1.374856 -0.192180
H 5.105564 -3.029511 -0.620228
H 4.295152 -2.383297 1.695553
H 2.933976 -2.732982 0.600238
H 3.190334 -2.152182 -1.971955
H 4.716237 -1.428445 -2.538940
H 4.003901 0.054361 1.391843
H 2.423305 -0.631830 1.862892
H 2.861806 0.276947 -2.342817
H 4.262609 0.666890 -1.303769
H 1.157535 1.505192 -1.880983
H -1.534815 0.899496 1.973762
H -2.777790 0.324641 -2.147340
H -3.202328 -0.850992 2.720881
H -4.444913 -1.421063 -1.404228
H -5.981328 -1.978296 0.914630
H -4.786138 -3.265144 0.633535
H -4.897630 -2.488290 2.237329


