%chk=000210386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210386

0 1
S 5.942399 0.127660 -0.509068
S 6.857161 1.543587 -1.345657
O 4.393399 0.628146 -0.335782
O 6.366118 0.049298 1.095764
O 5.954525 -1.241814 -0.914028
N 1.038477 -0.209709 0.780612
C -3.363997 0.171989 -0.112030
C -2.718469 -1.091235 0.521673
C -3.397434 1.355762 0.878003
C -4.804803 -0.129434 -0.582134
C -4.034971 2.597224 0.237706
C -5.445489 1.101166 -1.236375
C -5.449758 2.299518 -0.277297
C -1.332192 -0.808910 1.138776
C -2.632796 -2.237806 -0.511230
C -0.306421 -0.276283 0.127058
C -2.376451 -3.594926 0.138279
C 2.068394 0.414317 -0.098809
C 3.403782 -0.257589 0.258530
H -2.760423 0.472322 -1.001415
H -3.382273 -1.427942 1.357858
H -3.963788 1.069829 1.784247
H -2.375549 1.602675 1.219373
H -4.800214 -0.976830 -1.296476
H -5.419010 -0.459033 0.276900
H -4.068169 3.422366 0.973210
H -3.401958 2.955575 -0.596477
H -4.897967 1.363549 -2.161735
H -6.479428 0.864674 -1.549337
H -6.122690 2.092326 0.576675
H -5.863248 3.190126 -0.785144
H -1.439575 -0.101775 1.983130
H -0.943796 -1.748569 1.587303
H -1.836086 -2.019916 -1.249805
H -3.576074 -2.284683 -1.095831
H -0.639007 0.701808 -0.282334
H -0.231541 -0.979663 -0.734789
H -2.330403 -4.390291 -0.614160
H -3.166324 -3.860642 0.849452
H -1.424430 -3.607253 0.683786
H 0.975462 0.314828 1.660152
H 1.842439 0.243768 -1.173633
H 2.162528 1.516396 0.022756
H 3.493324 -1.268421 -0.178785
H 3.589379 -0.284217 1.347154
H 6.553349 -0.833168 1.466933


%chk=000210386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210386

0 1
S 5.034150 0.006636 -1.744313
S 6.566122 1.315988 -2.424851
O 4.014152 0.838289 -0.332937
O 5.708659 -1.367619 -0.645042
O 4.043283 -0.752389 -2.780933
N 0.944864 0.346631 1.700822
C -3.183415 0.107387 -0.101867
C -2.652791 -0.937994 0.939687
C -3.421975 1.504724 0.536966
C -4.491375 -0.370700 -0.795154
C -3.976064 2.538940 -0.472079
C -5.045130 0.663675 -1.804520
C -5.275148 2.040368 -1.143303
C -1.413950 -0.424592 1.733230
C -2.393457 -2.329001 0.284660
C -0.183900 -0.092223 0.860904
C -1.844687 -3.411489 1.241401
C 2.080284 1.015312 1.088391
C 2.912533 0.039095 0.156752
H -2.414354 0.225145 -0.899522
H -3.460721 -1.080689 1.693289
H -4.140928 1.391909 1.376872
H -2.484291 1.898104 0.973424
H -4.322350 -1.327394 -1.323104
H -5.257343 -0.566620 -0.013624
H -4.151959 3.504935 0.040342
H -3.212810 2.728297 -1.255861
H -4.322654 0.779120 -2.639468
H -5.986646 0.285367 -2.248448
H -6.073175 1.950960 -0.376960
H -5.629453 2.774615 -1.892630
H -1.677160 0.475865 2.316843
H -1.125508 -1.194404 2.477123
H -1.704478 -2.212784 -0.577466
H -3.345273 -2.701460 -0.136777
H -0.417984 0.735918 0.165263
H 0.075325 -0.975816 0.231737
H -1.836178 -4.399698 0.745881
H -2.473296 -3.496689 2.148507
H -0.809722 -3.200867 1.567485
H 1.166791 -0.283482 2.479227
H 1.731552 1.862258 0.472781
H 2.754454 1.405537 1.868686
H 2.263827 -0.309652 -0.672019
H 3.276624 -0.824496 0.746723
H 5.811558 -2.166213 -1.243122


