%chk=000256851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256851

0 1
S 2.522753 1.733060 -0.197003
O 3.447506 -1.577775 -0.008078
O 0.625330 0.145197 -1.133636
O 1.193253 1.909631 0.333551
O 3.193593 2.905436 -0.703997
O 1.256925 -1.447312 0.721204
O -0.924865 -1.505585 -1.512150
N -1.362096 0.438791 -0.212827
C 2.895136 0.355959 -1.327365
C 3.883090 -0.238847 -0.280724
C 3.585173 0.764577 0.848277
C 1.771580 -0.654071 -1.468540
C 2.068415 -1.755856 -0.395761
C -0.637441 -0.453911 -0.988474
C 1.128719 -2.511248 1.692939
C -2.759781 0.329037 0.066236
C -3.337630 1.338911 0.863142
C -3.537485 -0.734318 -0.422984
C -4.698109 1.270033 1.161952
C -4.897039 -0.779566 -0.110058
C -5.481627 0.215596 0.679408
H 3.332429 0.660390 -2.289762
H 4.942101 -0.341277 -0.565770
H 3.083645 0.282748 1.708506
H 4.463353 1.265423 1.271031
H 1.632239 -1.084123 -2.479829
H 1.995647 -2.806762 -0.721710
H 2.114111 -2.793221 2.075193
H 0.602230 -3.362149 1.250572
H 0.519402 -2.038733 2.474395
H -0.828413 1.243342 0.187118
H -2.735640 2.162954 1.240914
H -3.086610 -1.516624 -1.039917
H -5.152557 2.047006 1.776649
H -5.505540 -1.601456 -0.487849
H -6.541500 0.171545 0.917048


%chk=000256851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256851

0 1
S 2.405236 1.817105 0.024858
O 3.429612 -1.657495 -0.117239
O 0.591935 0.088266 -1.660439
O 0.890900 1.965756 0.620971
O 3.205264 3.171400 -0.416144
O 1.188592 -1.233887 0.665292
O -0.880193 -1.765356 -1.542330
N -1.329090 0.354850 -0.538312
C 2.934549 0.374676 -1.313776
C 3.884301 -0.255893 -0.257065
C 3.654509 0.623039 1.008738
C 1.842265 -0.658355 -1.603159
C 1.985150 -1.689355 -0.438305
C -0.612929 -0.576607 -1.243409
C 0.797419 -2.292360 1.615018
C -2.664318 0.243761 -0.065934
C -3.152546 1.295313 0.755299
C -3.507055 -0.852651 -0.389628
C -4.472161 1.250409 1.248012
C -4.826736 -0.879911 0.110669
C -5.319262 0.162850 0.928770
H 3.350626 0.917131 -2.173575
H 4.941244 -0.299710 -0.558463
H 3.116729 0.109961 1.815433
H 4.499557 1.239171 1.347702
H 2.028316 -1.180539 -2.560201
H 1.756920 -2.730310 -0.719173
H 1.688668 -2.771168 2.061846
H 0.169146 -3.044802 1.102328
H 0.208453 -1.785439 2.393237
H -0.751821 1.150993 -0.214071
H -2.497542 2.139577 1.001892
H -3.127160 -1.664073 -1.014875
H -4.838548 2.066746 1.880214
H -5.474593 -1.726649 -0.143144
H -6.345141 0.130358 1.310663


