%chk=000234337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234337

0 1
S 4.911328 1.242561 0.440490
S -4.883081 -1.194802 0.460677
O 6.099276 0.697487 1.029673
O 4.141353 2.228366 1.156579
O -6.072487 -0.635916 1.033762
O -4.114089 -2.162130 1.202549
O 3.481242 -1.988633 -0.883537
O -3.451762 2.003298 -0.940235
N 3.774077 -0.094524 0.198990
N -3.746005 0.136498 0.188387
N 4.153975 -1.022621 -0.689000
N -4.124477 1.042083 -0.723164
C 0.013204 0.031700 1.016571
C 1.276908 -0.025827 0.149407
C -1.248767 0.066592 0.145683
C 2.530408 -0.164199 1.026650
C -2.504041 0.227359 1.016553
C 5.228692 1.785908 -1.175475
C -5.196902 -1.778221 -1.141955
H 0.048300 0.925275 1.671947
H -0.023226 -0.844497 1.694933
H 1.345889 0.884819 -0.476773
H 1.219919 -0.880352 -0.556539
H -1.316385 -0.859942 -0.456896
H -1.190454 0.902613 -0.581970
H 2.557982 0.644367 1.795711
H 2.513817 -1.136849 1.570729
H -2.533222 -0.561235 1.806009
H -2.488522 1.213633 1.535567
H 5.962389 2.608857 -1.213222
H 5.648981 1.003909 -1.832731
H 4.340153 2.170099 -1.700879
H -5.930116 -2.602251 -1.160763
H -5.616245 -1.012987 -1.819243
H -4.307114 -2.174839 -1.655884


%chk=000234337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234337

0 1
S 5.010658 1.510392 0.374403
S -4.985513 -1.461500 0.402900
O 6.282574 1.170977 1.310551
O 4.006110 2.727140 0.748805
O -6.262665 -1.094168 1.321143
O -3.984304 -2.667749 0.818117
O 3.639217 -2.146649 -0.387755
O -3.609916 2.174401 -0.446726
N 3.811616 -0.017468 0.251962
N -3.783764 0.061187 0.243959
N 4.372768 -1.087524 -0.416988
N -4.343534 1.114924 -0.451454
C 0.013173 0.030123 1.019606
C 1.293173 0.009979 0.152969
C -1.265113 0.035274 0.150237
C 2.558312 -0.022420 1.041774
C -2.532024 0.084332 1.035805
C 5.573625 1.609422 -1.443401
C -5.538102 -1.612019 -1.414515
H 0.023429 0.927054 1.671982
H 0.001644 -0.855433 1.687300
H 1.321454 0.911694 -0.487987
H 1.287086 -0.876206 -0.507179
H -1.292453 -0.877813 -0.474486
H -1.257445 0.909401 -0.525710
H 2.590310 0.873711 1.689084
H 2.564934 -0.930166 1.675771
H -2.564459 -0.798509 1.701159
H -2.540789 1.004793 1.651203
H 6.281474 2.449208 -1.482710
H 6.036146 0.637423 -1.658310
H 4.664705 1.788941 -2.032348
H -6.248454 -2.450395 -1.433505
H -5.996383 -0.645300 -1.660257
H -4.626490 -1.811462 -1.992799


