%chk=000291563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291563

0 1
S 2.708846 -2.313743 0.361010
O 1.102722 -0.887830 -1.737078
O 3.065276 -3.187126 -0.722887
O 2.786205 -2.794560 1.728159
N 0.988897 -1.979293 0.241279
C -1.682825 -0.315874 0.241606
C -1.116565 -1.229273 -0.862374
C -3.196886 -0.451140 0.231058
C -1.287323 1.146207 0.135475
C 0.392163 -1.329120 -0.850022
C -3.964359 0.191920 -0.751313
C -1.608681 1.985980 1.218033
C -3.831028 -1.238204 1.202887
C -0.632189 1.685341 -0.977351
C -5.353666 0.046423 -0.760530
C -1.276611 3.340500 1.183161
C -5.221828 -1.380661 1.189297
C -0.299428 3.044639 -1.007599
C 3.488546 -0.792504 0.231930
C -5.985132 -0.740606 0.208405
C -0.619685 3.874806 0.068411
C 3.941520 -0.152407 1.394526
C 3.697422 -0.202608 -1.019434
C 4.600311 1.074078 1.304914
C 4.359291 1.027258 -1.109400
C 4.808295 1.663645 0.050452
H -1.291084 -0.685992 1.228621
H -1.567708 -2.241761 -0.778642
H -1.438226 -0.861627 -1.864081
H -3.475888 0.814316 -1.501024
H -2.128780 1.580219 2.084670
H -3.247545 -1.740028 1.971922
H -0.358363 1.056500 -1.827175
H 0.383814 -2.335492 0.993958
H -5.946128 0.549151 -1.523759
H -1.530595 3.983505 2.024267
H -5.710716 -1.992253 1.946210
H 0.213548 3.452282 -1.877611
H -7.067540 -0.852772 0.199373
H -0.361203 4.931053 0.041910
H 3.783662 -0.618708 2.374515
H 3.331193 -0.695211 -1.932093
H 4.952217 1.572147 2.206819
H 4.518140 1.485731 -2.084586
H 5.322716 2.623292 -0.018610


%chk=000291563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291563

0 1
S 2.709170 -2.128257 0.687879
O 1.032932 -1.303435 -1.838238
O 3.167613 -3.347357 -0.265245
O 2.751318 -2.262889 2.308400
N 0.896376 -1.764409 0.434543
C -1.822197 -0.438047 0.325941
C -1.197456 -1.325949 -0.793173
C -3.354292 -0.491092 0.184007
C -1.287375 1.001017 0.364962
C 0.333558 -1.453763 -0.795668
C -4.035558 0.347273 -0.734398
C -1.533540 1.778977 1.526916
C -4.104340 -1.429003 0.936869
C -0.587823 1.600033 -0.712283
C -5.434306 0.244253 -0.899228
C -1.094633 3.116194 1.615095
C -5.504558 -1.532764 0.776349
C -0.146600 2.941873 -0.627462
C 3.582397 -0.533601 0.176958
C -6.174519 -0.696976 -0.145865
C -0.397719 3.705547 0.533156
C 3.892553 0.369535 1.205639
C 3.923989 -0.360876 -1.172746
C 4.593474 1.542624 0.842662
C 4.627484 0.818979 -1.508130
C 4.956650 1.763680 -0.506865
H -1.586362 -0.905603 1.305853
H -1.627276 -2.342828 -0.709729
H -1.476840 -0.943074 -1.789490
H -3.471679 1.093818 -1.305897
H -2.082457 1.331647 2.365446
H -3.591360 -2.080407 1.656746
H -0.364541 1.029704 -1.620124
H 0.358271 -1.923527 1.294118
H -5.947990 0.900272 -1.611076
H -1.294751 3.698030 2.521907
H -6.069968 -2.260076 1.369734
H 0.397670 3.384943 -1.469047
H -7.260141 -0.773661 -0.272138
H -0.054902 4.744333 0.596936
H 3.612662 0.154185 2.241689
H 3.640482 -1.104494 -1.922017
H 4.855978 2.275171 1.612592
H 4.912891 0.996441 -2.549871
H 5.502517 2.673762 -0.778405


