%chk=000217403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217403

1 1
S 0.893347 2.692798 -1.378509
S 1.760464 -1.713874 1.338027
O -1.755631 -2.487594 1.044215
N -2.984953 0.034962 -0.056744
C -3.298527 -1.426618 -0.374372
C -1.837198 0.539365 -0.942348
C -2.054601 -2.342979 -0.351726
C -0.869319 -1.766394 -1.131508
C -0.621728 -0.332523 -0.770997
C -2.614734 0.184765 1.401785
C -4.218299 0.868631 -0.338060
C 0.566527 0.142303 -0.336350
C 0.811355 1.552648 -0.055322
C 1.718374 -0.724332 -0.108352
C 1.072529 2.182747 1.125734
C 2.863962 -0.889468 -0.824453
C 1.312210 3.601013 0.971814
C 3.780847 -1.836531 -0.221447
C 1.245122 4.029023 -0.316670
C 3.330543 -2.370329 0.942551
H -3.786322 -1.495364 -1.373537
H -4.032091 -1.816469 0.376630
H -1.627968 1.608929 -0.689817
H -2.160753 0.533727 -2.011049
H -2.338848 -3.353583 -0.740280
H -1.044328 -1.853801 -2.227638
H 0.036166 -2.395402 -0.962839
H -1.799629 -0.533595 1.674136
H -2.255651 1.201445 1.633156
H -3.462406 -0.048209 2.069134
H -5.085748 0.531671 0.261327
H -4.053170 1.934595 -0.087515
H -4.516381 0.825095 -1.401532
H -0.888063 -2.940472 1.182197
H 1.117564 1.700608 2.095176
H 3.102382 -0.380382 -1.751661
H 1.533494 4.233042 1.825786
H 4.734647 -2.069107 -0.685068
H 1.392715 5.025783 -0.704630
H 3.812999 -3.085522 1.591158


%chk=000217403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217403

1 1
S 0.387401 2.818835 -1.436507
S 1.497557 -2.214628 1.069628
O -1.817982 -2.685033 0.950562
N -3.091474 -0.021689 0.007128
C -3.382688 -1.476129 -0.416140
C -1.907699 0.556900 -0.855381
C -2.144516 -2.384559 -0.448131
C -0.965786 -1.732904 -1.213742
C -0.685659 -0.316548 -0.745904
C -2.743915 0.070486 1.493963
C -4.334239 0.819190 -0.260252
C 0.548357 0.152936 -0.315148
C 0.865842 1.590020 -0.171063
C 1.683187 -0.738841 0.006872
C 1.636756 2.207682 0.814622
C 3.028133 -0.567253 -0.317242
C 1.823620 3.620702 0.627789
C 3.906133 -1.579990 0.204469
C 1.222988 4.110451 -0.522094
C 3.256401 -2.536438 0.967482
H -3.827256 -1.423172 -1.425143
H -4.127400 -1.880111 0.289694
H -1.750959 1.585067 -0.496159
H -2.309227 0.592414 -1.887371
H -2.450967 -3.313081 -0.975095
H -1.248299 -1.697815 -2.289188
H -0.075202 -2.377665 -1.148148
H -1.888872 -0.585083 1.698738
H -2.513451 1.121031 1.729722
H -3.612166 -0.272733 2.077600
H -5.184888 0.393858 0.294711
H -4.149256 1.849976 0.079203
H -4.554063 0.817614 -1.339093
H -1.002894 -3.247436 0.998063
H 2.058937 1.650946 1.654758
H 3.372950 0.270373 -0.928327
H 2.390481 4.252145 1.315054
H 4.983087 -1.597013 0.025303
H 1.218106 5.124850 -0.917631
H 3.667824 -3.396753 1.492801


