%chk=000267642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267642

0 1
S 6.324929 0.512929 0.061257
O 6.459390 1.838639 -0.518393
O 7.010384 0.197277 1.305301
O -1.674533 -0.699955 0.736785
O -3.467307 -2.383019 -0.949753
O -0.520085 0.594124 -0.796397
N 0.548511 -0.637651 0.912064
C 4.635133 0.181638 0.285449
C 6.803621 -0.678864 -1.156627
C 3.682470 0.789737 -0.537818
C 4.223282 -0.655654 1.327343
C 1.919032 -0.326259 0.674704
C 8.285132 -0.519843 -1.458198
C 2.323664 0.535289 -0.360847
C 2.871682 -0.925132 1.529330
C -5.478188 0.579878 -0.490663
C -2.917853 -0.255391 0.247095
C -6.856895 1.039958 -0.880672
C -3.734404 -1.114987 -0.511302
C -5.031451 -0.685057 -0.868458
C -4.639722 1.434138 0.257968
C -3.364146 1.021169 0.620591
C -0.529023 -0.136888 0.159174
C -7.841338 0.853385 0.239722
C -2.133283 -2.916534 -0.754780
C -9.141269 0.647600 0.040621
H 6.599878 -1.713920 -0.818539
H 6.218412 -0.567489 -2.090762
H 3.999781 1.484217 -1.325960
H 4.969066 -1.097959 2.001031
H 8.618098 -1.245397 -2.211631
H 8.519001 0.482018 -1.850642
H 8.905850 -0.677305 -0.562573
H 1.584970 1.013407 -1.013737
H 2.565387 -1.577712 2.343130
H -7.199400 0.512617 -1.797802
H -6.836873 2.116484 -1.167672
H -5.662483 -1.364333 -1.441524
H 0.325428 -1.232099 1.719251
H -4.994533 2.420930 0.548930
H -2.702103 1.671809 1.192486
H -7.413959 0.910916 1.243137
H -2.244838 -3.936564 -1.144189
H -1.414665 -2.341777 -1.345614
H -1.876090 -2.918967 0.309691
H -9.849583 0.528883 0.848087
H -9.602175 0.579917 -0.933593


%chk=000267642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267642

0 1
S 6.501552 0.433551 -0.131198
O 6.683551 1.788749 -1.034767
O 7.263614 0.233090 1.307499
O -1.687494 -0.391954 0.953273
O -3.619370 -2.260817 -0.319420
O -0.571067 0.700839 -0.833770
N 0.560294 -0.319141 0.988256
C 4.653379 0.185243 0.175813
C 7.034006 -1.066234 -1.259767
C 3.735079 0.749289 -0.724145
C 4.262536 -0.500256 1.338218
C 1.928622 -0.120295 0.676461
C 8.531606 -0.949825 -1.523493
C 2.355528 0.592499 -0.478361
C 2.885647 -0.654821 1.584163
C -5.642948 0.826147 -0.068418
C -2.986000 0.029056 0.508963
C -7.069698 1.261631 -0.409556
C -3.890666 -0.914629 -0.044871
C -5.217900 -0.497938 -0.311444
C -4.710163 1.757942 0.457957
C -3.391799 1.356806 0.745933
C -0.543663 0.077350 0.247681
C -8.131611 0.233928 -0.065270
C -2.266210 -2.658070 -0.749867
C -9.038474 -0.268795 -0.939857
H 6.744636 -1.952893 -0.673159
H 6.404429 -0.954310 -2.157019
H 4.089776 1.327165 -1.584333
H 5.016862 -0.871574 2.039865
H 8.858807 -1.790680 -2.162481
H 8.769879 -0.006504 -2.044231
H 9.103024 -0.988371 -0.580223
H 1.614582 1.018061 -1.157778
H 2.551755 -1.184212 2.484642
H -7.135705 1.498171 -1.490517
H -7.286258 2.206335 0.129288
H -5.908442 -1.239612 -0.725998
H 0.337793 -0.803645 1.861367
H -5.017522 2.791703 0.650349
H -2.670936 2.062132 1.172579
H -8.145435 -0.104474 0.982054
H -2.402458 -3.641487 -1.225550
H -1.856144 -1.940284 -1.484804
H -1.584399 -2.749390 0.112695
H -9.794562 -0.997740 -0.627725
H -9.051130 0.036467 -1.994030


