%chk=000270155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270155

0 1
S -3.797085 0.995406 0.027104
O 4.291914 0.559990 -0.121744
O -4.168747 0.311906 1.257270
O -4.289202 2.343279 -0.203492
O 2.795407 -0.614913 1.153837
N -4.286745 0.073035 -1.341696
N 2.123723 0.987424 -0.444965
C 5.436368 -0.149154 0.514616
C 5.581291 -1.507182 -0.171347
C 6.595184 0.807712 0.232132
C 6.918931 -2.149593 0.215818
C 7.923382 0.144653 0.618384
C 8.097460 -1.211358 -0.079878
C -5.610330 0.407778 -1.928239
C -3.881197 -1.354203 -1.392156
C 3.032637 0.210310 0.300756
C -2.075252 0.975026 -0.103073
C -6.849121 -0.160368 -1.213300
C -4.487441 -2.255347 -0.302174
C 0.709829 0.957530 -0.295462
C -1.434392 1.799762 -1.034263
C -1.317454 0.153469 0.740541
C -0.045955 1.799341 -1.143219
C 0.071494 0.132467 0.650012
C -7.161276 0.530171 0.108189
C -3.950237 -3.677688 -0.401755
H 5.207721 -0.245675 1.596925
H 5.516340 -1.383107 -1.270142
H 4.736814 -2.166996 0.111836
H 6.453930 1.755772 0.784352
H 6.597584 1.084544 -0.841722
H 6.910010 -2.418011 1.290571
H 7.046481 -3.102071 -0.333107
H 8.762923 0.816096 0.355158
H 7.973080 0.011922 1.716938
H 8.190395 -1.060360 -1.172898
H 9.044208 -1.682654 0.244840
H -5.605666 0.051990 -2.984446
H -5.682616 1.523707 -1.976445
H -2.767898 -1.388557 -1.339028
H -4.145981 -1.756666 -2.396920
H -6.719445 -1.252764 -1.039724
H -7.717837 -0.064850 -1.894974
H -5.597477 -2.254377 -0.390865
H -4.286496 -1.837547 0.709945
H 2.520923 1.635809 -1.134834
H -2.025270 2.458486 -1.681784
H -1.820832 -0.476750 1.486355
H 0.439855 2.445256 -1.870033
H 0.658233 -0.514107 1.312472
H -6.452646 0.240680 0.901501
H -7.112114 1.623787 0.024146
H -8.162954 0.273018 0.467249
H -4.182904 -4.136876 -1.369030
H -2.862483 -3.712458 -0.270824
H -4.388963 -4.315395 0.375796


%chk=000270155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270155

0 1
S -3.884233 1.017845 0.186508
O 4.388237 0.641016 -0.203787
O -4.220476 0.324173 1.633551
O -4.412642 2.525008 -0.147406
O 2.946833 -0.542177 1.242978
N -4.387820 0.002881 -1.278047
N 2.172484 1.011416 -0.375606
C 5.575681 -0.089209 0.359156
C 5.739975 -1.440780 -0.357416
C 6.784178 0.833214 0.154816
C 7.034914 -2.144627 0.122685
C 8.080506 0.127906 0.631349
C 8.272747 -1.236768 -0.072819
C -5.597956 0.482621 -1.987147
C -4.024564 -1.430832 -1.199045
C 3.138245 0.284041 0.316474
C -2.012893 0.981968 0.013600
C -6.990469 -0.028393 -1.536760
C -4.773456 -2.358039 -0.202719
C 0.769139 0.973915 -0.202288
C -1.418213 1.789594 -0.970993
C -1.268513 0.192962 0.903956
C -0.016311 1.781272 -1.075172
C 0.137451 0.182067 0.796362
C -7.373441 0.373189 -0.096569
C -4.179021 -3.782875 -0.242655
H 5.379803 -0.257397 1.436110
H 5.797441 -1.258357 -1.448965
H 4.857418 -2.076940 -0.163887
H 6.628793 1.781852 0.701003
H 6.867316 1.080392 -0.921944
H 6.936085 -2.405191 1.196493
H 7.162399 -3.097508 -0.424619
H 8.949016 0.786596 0.442808
H 8.032091 -0.030414 1.728376
H 8.435029 -1.068738 -1.157430
H 9.179457 -1.739489 0.314402
H -5.432036 0.217573 -3.052159
H -5.575613 1.587403 -1.919153
H -2.937887 -1.487214 -0.981456
H -4.150449 -1.815490 -2.232595
H -7.054318 -1.126635 -1.661983
H -7.724951 0.404605 -2.247124
H -5.849980 -2.394980 -0.448024
H -4.687770 -1.936108 0.814859
H 2.545121 1.630796 -1.098906
H -2.033359 2.414564 -1.625233
H -1.781984 -0.384073 1.680082
H 0.473275 2.402904 -1.834378
H 0.746649 -0.423290 1.469862
H -6.681993 -0.058625 0.649283
H -7.340977 1.471100 0.027421
H -8.394806 0.029181 0.148717
H -4.262954 -4.230963 -1.251633
H -3.107571 -3.776598 0.034861
H -4.703527 -4.449041 0.465412


