%chk=000281403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281403

0 1
S 5.625993 -0.815103 0.378593
O -4.074089 -2.228591 -2.113120
O 6.399449 -0.670910 -0.823462
O 6.162346 -1.574314 1.493382
O -2.004008 -3.960718 1.192012
N -3.254414 -0.846697 -0.447209
N 5.451462 0.743787 1.152384
N -0.853479 -2.261337 -0.657290
N 0.203391 -2.882104 -0.858957
N 4.266249 1.643529 -0.665930
C -4.014237 1.340616 0.390191
C -4.210605 0.222011 -0.509525
C -4.960419 2.398065 0.355870
C -5.284743 0.194338 -1.375897
C -2.100172 -2.985392 -1.009570
C -2.919040 1.430270 1.305889
C -6.065718 2.341241 -0.551472
C 4.033989 -1.358944 0.033265
C -4.794308 3.516053 1.235778
C -3.236779 -1.970756 -1.268305
C -6.215963 1.267558 -1.390672
C -2.781607 2.512753 2.138764
C -3.733744 3.571489 2.104070
C 3.477720 -1.140462 -1.232446
C 3.303974 -2.037015 1.019148
C 1.466934 -2.266107 -0.524081
C 2.186884 -1.591127 -1.521420
C 2.014209 -2.491915 0.752383
C -2.542197 -3.960531 0.116882
C 4.879874 1.867738 0.545338
C -3.657423 -4.866530 -0.278026
C 4.914466 3.147764 1.157669
C 4.310497 4.208480 0.491082
C 3.690622 2.705491 -1.287214
C 3.688596 3.997946 -0.747489
H -2.474672 -0.712284 0.217291
H -5.440770 -0.643709 -2.064327
H -1.992164 -3.589521 -1.959924
H -2.183531 0.623838 1.339430
H -6.778361 3.163782 -0.560108
H -5.529343 4.319411 1.199130
H -7.053223 1.213319 -2.087658
H -1.947369 2.578651 2.835673
H -3.602537 4.418580 2.776269
H 4.054186 -0.608617 -2.003003
H 3.749413 -2.219577 2.005444
H 1.751701 -1.422158 -2.505191
H 1.439814 -3.020051 1.514598
H 5.908106 0.894265 2.062402
H -4.226036 -5.209755 0.601829
H -3.277147 -5.773465 -0.775038
H -4.377006 -4.402973 -0.976100
H 5.404360 3.294286 2.114275
H 4.322106 5.206678 0.931767
H 3.218580 2.487826 -2.253357
H 3.217988 4.818594 -1.279317


%chk=000281403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281403

0 1
S 4.746947 -0.021568 1.633485
O -4.565744 -2.332534 -2.226254
O 6.085275 -0.689316 1.015518
O 4.436691 -0.075186 3.231605
O -2.160485 -4.607362 0.338286
N -3.566199 -1.063611 -0.494392
N 4.673374 1.824010 1.347336
N -1.236747 -2.219896 -0.718555
N -0.064712 -2.380698 -1.245628
N 5.124106 1.682100 -0.961830
C -4.221723 0.898462 0.831388
C -4.553351 -0.094927 -0.173418
C -5.228625 1.881913 1.179723
C -5.813269 -0.088902 -0.794815
C -2.306355 -2.921874 -1.459301
C -2.950911 0.964453 1.496722
C -6.506433 1.857000 0.530357
C 3.228904 -0.689932 0.730825
C -4.927330 2.871691 2.173118
C -3.607535 -2.064555 -1.441666
C -6.783794 0.891314 -0.436867
C -2.687077 1.942811 2.459357
C -3.683944 2.906315 2.805063
C 3.345219 -1.020712 -0.627508
C 2.073805 -0.894579 1.506893
C 1.017208 -1.777181 -0.512954
C 2.215190 -1.588726 -1.249729
C 0.946779 -1.445455 0.868597
C -2.609739 -4.316757 -0.793067
C 5.194212 2.416996 0.187991
C -3.452477 -5.245126 -1.641486
C 5.709253 3.746087 0.225736
C 6.133908 4.328680 -0.983028
C 5.565751 2.260611 -2.113647
C 6.067491 3.578065 -2.182551
H -2.662745 -1.038120 0.002616
H -6.038329 -0.840744 -1.553246
H -2.031640 -3.110198 -2.515841
H -2.150686 0.252643 1.262212
H -7.256516 2.607033 0.805654
H -5.699668 3.607210 2.427490
H -7.758913 0.873065 -0.934988
H -1.708921 1.973128 2.951407
H -3.466642 3.667088 3.562245
H 4.277021 -0.825944 -1.164082
H 2.079826 -0.654811 2.574966
H 2.236814 -1.885482 -2.302498
H 0.028039 -1.654671 1.424707
H 4.808010 2.286506 2.257025
H -3.832498 -6.076403 -1.027934
H -2.827131 -5.659196 -2.456843
H -4.280445 -4.691490 -2.119427
H 5.767526 4.297243 1.169821
H 6.526170 5.351002 -0.986313
H 5.509293 1.634067 -3.010866
H 6.401576 3.994159 -3.136710


