%chk=000229230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229230

0 1
S 2.000139 2.685165 0.108368
O 1.724397 3.155235 1.436168
O 2.992455 3.356131 -0.703879
O 4.176439 -3.577238 -0.415742
O 2.456151 -3.907416 0.855386
N 0.580312 2.788277 -0.885500
N -0.470652 2.065623 -0.388402
N 3.207038 -3.192127 0.214005
C -4.915131 0.165102 -0.337971
C -4.473782 -1.310734 -0.278811
C -3.877742 1.038781 -0.999284
C -3.683117 -1.613741 0.957773
C -2.366772 -1.872715 0.996181
C -4.233700 1.525036 -2.367280
C 2.348416 0.979128 0.150179
C -2.726726 1.329651 -0.365551
C 3.420013 0.484574 -0.599004
C 1.561193 0.126295 0.926502
C -1.476343 -1.873314 -0.206548
C -1.674426 -2.170583 2.293591
C 2.911488 -1.730527 0.196453
C 3.712606 -0.882074 -0.578962
C 1.838477 -1.245457 0.952346
C -1.659987 2.165047 -0.920497
H -5.122957 0.537802 0.687312
H -5.883927 0.234462 -0.870563
H -3.900147 -1.568496 -1.194588
H -5.372833 -1.961483 -0.299693
H -4.275554 -1.612148 1.872484
H -5.136969 2.151756 -2.342756
H -4.442391 0.681594 -3.041870
H -3.440712 2.121128 -2.836932
H -2.530828 0.915293 0.630924
H 4.035786 1.165432 -1.203154
H 0.719463 0.521119 1.511903
H -0.775618 -2.716999 -0.200928
H -2.047593 -1.929824 -1.145252
H -0.888316 -0.943662 -0.253894
H -1.122527 -3.119518 2.243913
H -0.957828 -1.379368 2.548294
H -2.371867 -2.254290 3.137446
H 0.446119 3.537009 -1.579495
H 4.549657 -1.289624 -1.156543
H 1.226121 -1.932669 1.547907
H -1.936327 2.826567 -1.754837


%chk=000229230-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229230

0 1
S 2.283703 2.847212 -0.461943
O 1.738307 3.774140 0.760038
O 3.282648 3.413011 -1.616073
O 5.723653 -2.750359 1.337889
O 4.346995 -2.551491 3.145510
N 0.827397 1.991790 -1.485422
N -0.199711 1.631085 -0.644748
N 4.788438 -2.158091 1.999427
C -4.876445 0.676886 0.468524
C -5.307514 -0.818795 0.241867
C -3.866924 1.172655 -0.552107
C -4.232555 -1.809247 0.636514
C -3.480669 -2.607697 -0.175451
C -4.443129 1.582714 -1.893244
C 3.044047 1.296611 0.291075
C -2.527867 1.215875 -0.230711
C 4.063499 0.652210 -0.428202
C 2.569858 0.873773 1.543359
C -3.592835 -2.652689 -1.689299
C -2.433266 -3.543780 0.406982
C 4.175714 -0.939783 1.398606
C 4.648057 -0.496142 0.143552
C 3.152558 -0.277603 2.111808
C -1.453819 1.675013 -1.084933
H -4.465728 0.768834 1.491327
H -5.788730 1.305838 0.420418
H -5.621332 -0.956890 -0.808903
H -6.209026 -0.995471 0.862776
H -4.041839 -1.868083 1.720281
H -5.030132 2.517030 -1.789734
H -5.146688 0.812681 -2.264075
H -3.683620 1.745930 -2.674826
H -2.214250 0.885291 0.767273
H 4.394858 1.048919 -1.392825
H 1.782763 1.434159 2.055425
H -3.836048 -3.677897 -2.032535
H -4.359118 -1.969649 -2.090816
H -2.623330 -2.385290 -2.154519
H -2.639563 -4.596065 0.126972
H -1.425341 -3.303745 0.013663
H -2.394229 -3.484076 1.508466
H 0.617669 2.672257 -2.258975
H 5.448564 -1.045304 -0.358074
H 2.831622 -0.666179 3.081331
H -1.685144 2.032611 -2.106468


