%chk=000281375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281375

0 1
S 6.077054 -2.230200 -0.651277
O -2.818834 2.531544 -1.626210
O 0.110050 3.115580 1.417111
O 6.244484 -2.680527 0.714746
O 6.007958 -3.169843 -1.751268
N -2.312791 0.752229 -0.235491
N 0.378664 1.343307 -0.678717
N 1.551293 1.606017 -0.994354
N 7.431001 -1.222912 -0.980313
C -3.649279 -1.177004 0.509489
C -3.572563 0.063209 -0.235532
C -4.891985 -1.862166 0.537260
C -0.585548 2.464597 -0.796159
C -4.676577 0.555492 -0.901532
C -2.539222 -1.741834 1.212900
C -6.021040 -1.326528 -0.160489
C -4.999327 -3.089919 1.267079
C -2.019829 1.908971 -0.950852
C -5.908290 -0.152062 -0.858563
C -2.667311 -2.920694 1.904421
C -3.916153 -3.605013 1.932874
C 4.729053 -1.154014 -0.737094
C -0.537193 3.399861 0.444490
C 2.562978 0.580680 -0.878108
C 4.053263 -0.981748 -1.950068
C 4.312729 -0.466769 0.408469
C 2.963604 -0.113621 -2.032347
C 3.224662 0.404866 0.349267
C -1.339643 4.645709 0.289621
H -1.548777 0.287755 0.282531
H -0.393948 3.103512 -1.709849
H -4.628786 1.488892 -1.473194
H -1.577332 -1.225391 1.196055
H -6.963528 -1.869752 -0.125208
H -5.959796 -3.604071 1.280340
H -6.760778 0.265051 -1.396035
H -1.820632 -3.349556 2.438938
H -3.991282 -4.538517 2.489503
H 4.369586 -1.539032 -2.840940
H 4.831085 -0.620678 1.363162
H 2.434959 0.023995 -2.974885
H 2.893457 0.943768 1.238531
H -0.749160 5.442887 -0.189744
H -2.247990 4.513724 -0.325400
H -1.659010 5.041009 1.267890
H 8.097938 -1.052533 -0.230795
H 7.938385 -1.366970 -1.850554


%chk=000281375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281375

0 1
S 5.538794 -2.570569 -0.488238
O -3.194958 2.910011 -1.292474
O 0.223255 3.690122 1.013336
O 4.959798 -3.628282 0.606311
O 6.109003 -2.999448 -1.951745
N -2.304846 0.946378 -0.314755
N 0.174707 1.583168 -0.770968
N 1.267444 1.658818 -1.460528
N 6.879308 -1.633040 0.346422
C -3.237845 -1.187922 0.462624
C -3.452480 0.160404 -0.028930
C -4.400377 -1.988896 0.792345
C -0.758612 2.700705 -1.023436
C -4.753730 0.659690 -0.201644
C -1.938780 -1.776214 0.630742
C -5.715112 -1.445569 0.615040
C -4.214759 -3.322444 1.286953
C -2.227786 2.192872 -0.897662
C -5.880204 -0.151272 0.122254
C -1.790816 -3.080598 1.110437
C -2.938393 -3.862632 1.447174
C 4.209904 -1.259518 -0.760284
C -0.517651 3.858704 0.018736
C 2.232790 0.631086 -1.169855
C 4.220394 -0.551884 -1.972680
C 3.261224 -1.064928 0.259830
C 3.217662 0.420000 -2.167856
C 2.256635 -0.103019 0.048659
C -1.224032 5.156502 -0.308865
H -1.372244 0.562509 -0.097777
H -0.629329 3.137585 -2.033531
H -4.891260 1.671489 -0.587034
H -1.028591 -1.223309 0.369818
H -6.583449 -2.063929 0.869160
H -5.103150 -3.915235 1.535092
H -6.884533 0.261963 -0.018602
H -0.789469 -3.510098 1.222940
H -2.810090 -4.882983 1.823451
H 4.973995 -0.766961 -2.736266
H 3.307384 -1.658729 1.178170
H 3.175362 1.016279 -3.084222
H 1.507730 0.111027 0.817122
H -0.693813 5.658084 -1.142333
H -2.255135 4.962571 -0.654629
H -1.216528 5.821545 0.568407
H 7.028667 -2.042249 1.283456
H 7.719517 -1.660481 -0.254464


