%chk=000270267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270267

0 1
S 3.810171 0.379004 -1.303548
O -0.741882 -1.172562 -1.303299
O 0.036145 1.868265 -1.177342
O 0.029318 -0.338471 1.674362
O 2.865665 -0.999059 -0.968629
O 2.928406 1.484410 -0.964495
O 4.263048 0.250105 -2.661503
O 0.759176 3.236484 0.473789
O 2.046382 0.073225 2.625381
O -9.251717 -0.972710 -0.379575
N -2.722028 -0.302934 -0.428689
N -4.146105 -1.221868 1.131073
N -4.434374 0.324473 -2.158618
N -6.710111 -0.253999 -1.461823
N -7.189754 -1.318596 0.656524
C -0.593658 0.982755 -0.230194
C 0.497932 0.061695 0.357828
C -1.469967 0.055084 -1.116197
C 0.505016 -1.181539 -0.547545
C 1.605118 -1.132842 -1.628277
C -4.015106 -0.206922 -0.967435
C -2.871185 -0.951134 0.846488
C -4.893450 -0.772342 0.024336
C 0.802106 2.925793 -0.685492
C 0.896461 -0.258814 2.743956
C -6.289611 -0.776746 -0.274999
C 5.054095 0.158652 -0.170575
C -5.779893 0.264065 -2.333931
C 6.321880 -0.266907 -0.599985
C 4.825218 0.395176 1.193184
C 7.350888 -0.444977 0.318967
C 5.854199 0.216823 2.116405
C 7.125334 -0.202799 1.688394
C -8.618336 -1.393313 0.550064
C 8.222182 -0.406907 2.676133
H -1.141103 1.568806 0.537063
H 1.491056 0.570379 0.445579
H -1.683805 0.458617 -2.140826
H 0.499755 -2.134252 0.019956
H 1.413570 -0.314739 -2.349586
H 1.657665 -2.094384 -2.178008
H -2.003448 -1.161438 1.466464
H 1.340981 3.326861 -1.545094
H 0.323905 -0.556748 3.625344
H -6.186823 0.672166 -3.276570
H -6.743973 -1.697507 1.506055
H 6.503790 -0.456254 -1.665356
H 3.834498 0.720665 1.545881
H 8.331933 -0.773881 -0.020729
H 5.665093 0.401812 3.173813
H -9.043282 -1.888025 1.442213
H 8.210957 -1.439531 3.061978
H 9.219245 -0.238844 2.244468
H 8.135722 0.258625 3.547421


%chk=000270267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270267

0 1
S 3.929715 0.580033 -1.291390
O -0.777839 -1.360360 -0.909269
O -0.168986 1.821203 -1.297121
O -0.036931 -0.144251 1.835193
O 2.949770 -1.019589 -1.068066
O 2.965193 1.773841 -0.747920
O 4.498485 0.676327 -2.800898
O 0.274986 3.494121 0.280892
O 2.124340 0.075086 2.720371
O -9.472645 -1.138338 -0.623553
N -2.868095 -0.377863 -0.291465
N -4.441766 -1.028266 1.250425
N -4.365015 -0.021647 -2.249508
N -6.723046 -0.483111 -1.702163
N -7.380646 -1.196591 0.520854
C -0.718678 0.966091 -0.215771
C 0.441783 0.200780 0.458620
C -1.577136 -0.116161 -0.923470
C 0.583893 -1.081206 -0.379855
C 1.562093 -0.949963 -1.570417
C -4.102512 -0.355316 -0.959594
C -3.136391 -0.797767 1.025897
C -5.057976 -0.752448 0.013594
C 0.336656 3.064788 -0.881845
C 0.909554 -0.148867 2.854300
C -6.413337 -0.806199 -0.414224
C 5.308363 0.172763 -0.098939
C -5.700018 -0.114203 -2.538489
C 6.574566 -0.074025 -0.653353
C 5.025182 0.147362 1.276228
C 7.628891 -0.351052 0.242880
C 6.103556 -0.134469 2.143174
C 7.410683 -0.388877 1.646159
C -8.776417 -1.341076 0.392053
C 8.546723 -0.717905 2.595614
H -1.276286 1.584890 0.505819
H 1.368671 0.794352 0.525402
H -1.796428 0.180478 -1.965070
H 0.871490 -1.947927 0.238107
H 1.375448 -0.015530 -2.133401
H 1.424042 -1.809618 -2.248461
H -2.340526 -0.915425 1.756875
H 0.769150 3.572174 -1.759366
H 0.395831 -0.387207 3.803116
H -5.993188 0.135264 -3.561731
H -6.988370 -1.411470 1.445878
H 6.729103 -0.039103 -1.736308
H 4.020721 0.330257 1.669668
H 8.632115 -0.539828 -0.154938
H 5.919271 -0.159357 3.222926
H -9.203967 -1.678255 1.367292
H 8.585044 -1.806228 2.795854
H 9.525017 -0.426731 2.176337
H 8.423160 -0.210684 3.567856


