%chk=000270121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270121

0 1
S 3.187253 1.151635 0.095735
O -4.880210 0.440130 0.189445
O 3.528068 1.285907 -1.310363
O 3.686187 2.111658 1.064893
O -3.413029 0.133533 -1.543273
N 3.758058 -0.366035 0.664230
N -2.707910 0.711913 0.634895
C 4.092905 -1.436291 -0.317568
C 5.375254 -1.140601 -1.126518
C 4.212693 -2.783473 0.431151
C 6.645758 -1.241735 -0.277814
C 5.496823 -2.892450 1.262941
C 6.744939 -2.606285 0.417502
C -6.028981 0.088711 -0.683022
C -7.209223 0.810539 -0.021943
C -6.264768 -1.423080 -0.590399
C -8.199335 -0.278068 0.427621
C -7.749639 -1.595715 -0.233172
C 1.474948 1.022779 0.234388
C -3.630457 0.395556 -0.381943
C 0.854541 1.238471 1.470467
C 0.700455 0.713202 -0.890505
C -1.300397 0.811830 0.457362
C -0.528286 1.135584 1.596658
C -0.683687 0.602138 -0.790563
H 3.231699 -1.506395 -1.036175
H 5.433598 -1.852035 -1.972345
H 5.303709 -0.135146 -1.596586
H 4.181178 -3.601954 -0.313443
H 3.329694 -2.925100 1.084083
H 7.534339 -1.078326 -0.917173
H 6.666183 -0.430106 0.474398
H 5.453392 -2.190708 2.117969
H 5.566692 -3.903501 1.707082
H 7.648276 -2.641126 1.054291
H 6.873931 -3.402589 -0.340521
H -5.792183 0.442857 -1.705180
H -6.858043 1.414927 0.837542
H -7.678072 1.519795 -0.725121
H -6.001080 -1.937906 -1.529337
H -5.616741 -1.860422 0.193399
H -8.190310 -0.375727 1.527893
H -9.233872 -0.021547 0.146495
H -8.345382 -1.797852 -1.141195
H -7.905247 -2.456524 0.437702
H 4.438667 -0.333606 1.437275
H 1.457444 1.500081 2.348376
H 1.184605 0.565545 -1.864851
H -3.089658 0.899996 1.569275
H -0.997783 1.307020 2.561971
H -1.283195 0.358597 -1.675232


%chk=000270121-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270121

0 1
S 3.202907 1.181677 0.005290
O -5.052763 0.526938 0.104030
O 3.543538 1.357504 -1.584863
O 3.701192 2.252889 1.131497
O -3.595983 0.231202 -1.726421
N 3.826605 -0.469322 0.648818
N -2.837744 0.727323 0.467969
C 4.301571 -1.416846 -0.412690
C 5.714538 -1.088385 -0.970390
C 4.263321 -2.844708 0.198775
C 6.822774 -1.300814 0.089357
C 5.374676 -3.057780 1.254881
C 6.774401 -2.732046 0.678018
C -6.235481 0.253164 -0.791441
C -7.457263 0.802537 -0.038790
C -6.473758 -1.276115 -0.916287
C -7.829198 -0.336752 0.942569
C -7.607285 -1.628628 0.103944
C 1.341157 1.003890 0.131600
C -3.796489 0.468217 -0.509465
C 0.738763 1.190025 1.387314
C 0.609579 0.734155 -1.035099
C -1.434689 0.806062 0.306947
C -0.660912 1.089330 1.469090
C -0.793636 0.630612 -0.950743
H 3.564320 -1.356701 -1.235657
H 5.905166 -1.762163 -1.830330
H 5.721238 -0.055336 -1.363579
H 4.404317 -3.567836 -0.630331
H 3.265500 -3.025038 0.637267
H 7.811952 -1.103174 -0.365231
H 6.715413 -0.560019 0.910837
H 5.176669 -2.416276 2.138141
H 5.345357 -4.103067 1.617290
H 7.547924 -2.852089 1.460907
H 7.013790 -3.460472 -0.124543
H -6.024295 0.740467 -1.757884
H -7.242858 1.768382 0.448570
H -8.275185 0.960726 -0.768810
H -6.766400 -1.526723 -1.951428
H -5.536861 -1.821967 -0.712800
H -7.141380 -0.316631 1.808224
H -8.859993 -0.250542 1.328135
H -8.535821 -1.891239 -0.436350
H -7.343346 -2.493166 0.737376
H 4.586956 -0.175714 1.295239
H 1.344757 1.428453 2.266495
H 1.126377 0.632810 -1.994960
H -3.217505 0.892926 1.402806
H -1.157851 1.234901 2.435691
H -1.394262 0.423460 -1.838188


