%chk=000117075.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117075

1 1
S -3.207467 0.418668 1.581107
O 7.979857 1.350031 0.483766
O -8.347841 0.474607 0.454697
N 5.475763 -0.297557 -0.013985
N -3.010185 -0.076189 -0.960050
N -0.876750 0.074577 0.398715
N -0.060283 -0.167493 -0.582916
C 6.186064 -0.069634 1.272756
C 6.812859 1.352419 1.311814
C 6.369446 -0.565426 -1.185280
C 4.124584 -0.268980 -0.115489
C 7.137150 1.772185 2.734748
C 6.596356 -2.057826 -1.374628
C 3.468014 -0.505484 -1.384113
C 3.288838 0.005077 1.034086
C -4.410016 0.047461 -0.698528
C -4.687484 0.320665 0.658185
C -2.231491 0.093452 0.145152
C 2.110084 -0.463314 -1.492958
C 1.931180 0.044515 0.923109
C 1.276402 -0.184575 -0.344341
C -5.467708 -0.074531 -1.630629
C -5.983473 0.479859 1.135399
C -2.472779 -0.360553 -2.302109
C -7.018714 0.355739 0.198232
C -6.761291 0.079226 -1.181258
C -8.772231 0.756702 1.816795
H 6.985410 -0.839740 1.384500
H 5.498397 -0.215852 2.138322
H 6.157522 2.095857 0.795320
H 5.932467 -0.107360 -2.103030
H 7.342292 -0.028489 -1.013528
H 6.234590 1.963511 3.329365
H 7.735637 1.032893 3.280730
H 7.713316 2.712272 2.740170
H 7.244349 -2.243639 -2.244484
H 7.090284 -2.520470 -0.510318
H 5.662807 -2.609526 -1.545812
H 4.077754 -0.719525 -2.264544
H 3.763331 0.179382 2.002307
H 1.619638 -0.640978 -2.456392
H 1.300112 0.252271 1.796392
H -5.260037 -0.285792 -2.681533
H 8.779479 1.062969 0.972082
H -6.178939 0.690067 2.184214
H -3.275294 -0.449802 -3.055582
H -1.782230 0.445938 -2.626108
H -1.893528 -1.307421 -2.298830
H -7.616815 -0.004804 -1.858430
H -9.866524 0.791588 1.697308
H -8.385405 1.726268 2.143007
H -8.479494 -0.059340 2.483492


%chk=000117075-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117075

1 1
S -3.082679 0.658758 1.542502
O 7.480998 1.722716 0.552963
O -8.347533 0.561988 0.531998
N 5.553086 -0.341002 -0.052854
N -2.993618 -0.130636 -0.984687
N -0.801867 0.147873 0.239932
N -0.017266 -0.175107 -0.818055
C 6.203066 -0.161342 1.267993
C 6.529323 1.312432 1.601891
C 6.483012 -0.600513 -1.192541
C 4.191624 -0.286159 -0.214756
C 7.133510 1.446333 3.009360
C 6.713484 -2.107344 -1.436080
C 3.576099 -0.564976 -1.495527
C 3.312787 0.051270 0.891747
C -4.373151 0.016178 -0.698202
C -4.632224 0.441214 0.632253
C -2.146144 0.160260 0.065539
C 2.198422 -0.514573 -1.647718
C 1.937772 0.098685 0.733305
C 1.333777 -0.185837 -0.545740
C -5.451470 -0.215954 -1.588039
C -5.935070 0.645611 1.115548
C -2.555642 -0.574761 -2.332919
C -7.006982 0.409225 0.216127
C -6.756856 -0.018117 -1.124398
C -8.706018 1.003389 1.890422
H 7.156036 -0.718308 1.249337
H 5.580353 -0.598144 2.065769
H 5.603516 1.922661 1.524325
H 6.092417 -0.104410 -2.096692
H 7.426352 -0.089931 -0.942346
H 6.421256 1.115444 3.787553
H 8.055897 0.845420 3.098204
H 7.389771 2.499535 3.225882
H 7.428546 -2.241833 -2.266645
H 7.140324 -2.597085 -0.542724
H 5.777524 -2.631044 -1.698026
H 4.192573 -0.835054 -2.354933
H 3.734896 0.287685 1.871183
H 1.736995 -0.733290 -2.615929
H 1.284466 0.357979 1.571204
H -5.280295 -0.541869 -2.617246
H 7.800369 2.643315 0.726022
H -6.109122 0.972422 2.143176
H -3.000462 -1.560237 -2.553319
H -2.893243 0.158394 -3.085712
H -1.460798 -0.640336 -2.341258
H -7.618267 -0.185117 -1.776480
H -9.803307 1.048957 1.891429
H -8.288367 2.005429 2.101941
H -8.359865 0.273708 2.646116


