%chk=000208382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208382

0 1
S -0.440419 0.918559 -0.070078
O 0.521371 0.509686 -1.086531
O -0.860466 2.304276 0.005972
O 5.001166 0.984282 0.931078
N 0.270015 0.560335 1.462439
N 4.480636 0.425452 -1.802394
N 5.259307 0.184519 -2.581741
C 1.695898 0.159070 1.482665
C -1.819947 -0.101537 -0.129980
C 2.675849 1.338491 1.348387
C -3.087680 0.420688 0.156936
C -1.685716 -1.451632 -0.475410
C -4.080230 -1.759581 -0.228988
C -4.212664 -0.400635 0.109607
C -2.807036 -2.278896 -0.524324
C 3.871965 0.994484 0.479452
C -5.283116 -2.638085 -0.293609
C 3.569194 0.700121 -0.916279
H 1.869594 -0.590540 0.672196
H 1.886483 -0.375072 2.443004
H 0.046128 1.205827 2.232312
H 2.181228 2.239080 0.926268
H 3.039335 1.654991 2.348605
H -3.198277 1.482070 0.411512
H -0.699602 -1.861888 -0.717102
H -5.195314 0.012339 0.331557
H -2.695875 -3.327509 -0.795080
H -5.054103 -3.686935 -0.057217
H -6.076323 -2.321001 0.398257
H -5.718753 -2.626446 -1.306010
H 2.496452 0.716488 -1.225004


%chk=000208382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208382

0 1
S -0.413589 0.824807 -0.023238
O 0.615012 0.296988 -1.182523
O -0.873294 2.388572 0.066742
O 5.117749 1.282364 1.064479
N 0.393219 0.333809 1.631872
N 4.873648 0.472107 -1.657112
N 5.872848 0.234222 -2.234122
C 1.863046 0.171402 1.468989
C -1.956869 -0.239315 -0.089601
C 2.666451 1.480752 1.195485
C -3.168579 0.344668 0.309967
C -1.845087 -1.557116 -0.559189
C -4.278492 -1.794734 -0.219338
C -4.332188 -0.452618 0.241118
C -3.024267 -2.330570 -0.618337
C 3.994840 1.187521 0.483754
C -5.541203 -2.629880 -0.317280
C 3.813940 0.768027 -0.917751
H 2.015319 -0.548366 0.646366
H 2.215316 -0.315655 2.397803
H 0.145154 1.130481 2.254549
H 2.058185 2.147901 0.555456
H 2.890403 2.010315 2.137437
H -3.201361 1.387896 0.640299
H -0.879405 -1.957248 -0.882802
H -5.293215 -0.024109 0.546914
H -2.968805 -3.363468 -0.980071
H -5.331676 -3.702932 -0.167101
H -6.293364 -2.318554 0.427698
H -6.004425 -2.522593 -1.317128
H 2.819787 0.686328 -1.372834


