%chk=000296246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296246

0 1
S -4.498881 -1.220326 -1.125685
O 1.979088 -0.238223 1.155308
O 2.928894 2.539760 0.030202
O 3.114969 -0.334470 -2.084472
O 5.488746 -0.945021 0.580381
N 0.070451 0.401341 -0.047941
N -0.014124 -0.392593 -1.190504
N -1.215379 -0.775518 -1.417047
N -1.681402 1.152058 1.612683
N -3.899193 0.310861 1.002419
C 2.299913 1.408820 -0.570514
C 3.312575 0.255943 -0.814879
C 1.353808 0.881840 0.541176
C 3.072586 -0.753223 0.333301
C 4.261674 -0.850579 1.304420
C -1.214912 0.495301 0.504973
C -2.053930 -0.267852 -0.401070
C -3.431585 -0.327732 -0.091596
C -3.017091 1.017632 1.801226
C -6.121865 -1.031942 -0.376714
H 1.783429 1.714736 -1.505879
H 4.373196 0.606848 -0.855103
H 1.134585 1.608987 1.366259
H 2.734818 -1.740661 -0.043120
H 4.153799 -1.703340 1.996337
H 4.379040 0.084632 1.891306
H 3.499984 3.000420 -0.625399
H 2.193505 -0.686984 -2.188128
H 5.536159 -1.789671 0.083577
H -3.457531 1.520604 2.680465
H -6.433578 0.021137 -0.323460
H -6.153182 -1.428823 0.648348
H -6.845968 -1.583764 -0.990868


%chk=000296246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296246

0 1
S -4.613651 -1.173400 -1.292879
O 2.018862 -0.490579 1.129175
O 2.995870 2.338375 0.319819
O 2.663124 -0.516704 -2.106586
O 5.732042 -0.734481 0.522469
N 0.036437 0.238916 -0.017515
N -0.003774 -0.517444 -1.219495
N -1.273776 -0.852973 -1.483772
N -1.669022 1.011472 1.605056
N -3.921850 0.293494 0.930651
C 2.267866 1.322865 -0.450004
C 3.182844 0.150672 -0.923753
C 1.319506 0.665630 0.581771
C 3.257366 -0.765195 0.322217
C 4.469266 -0.493546 1.236065
C -1.242315 0.366125 0.481194
C -2.069300 -0.325187 -0.457827
C -3.469180 -0.339644 -0.186118
C -3.019366 0.925750 1.755763
C -6.239145 -0.831050 -0.405605
H 1.727818 1.768836 -1.306973
H 4.189537 0.502054 -1.205092
H 1.062051 1.358418 1.400553
H 3.216320 -1.825769 0.011243
H 4.388795 -1.111220 2.152461
H 4.492658 0.569106 1.522483
H 3.697650 2.738511 -0.252851
H 1.683979 -0.712411 -1.975285
H 5.817155 -1.700261 0.319442
H -3.443733 1.417522 2.635362
H -6.411044 0.252489 -0.354363
H -6.201789 -1.252068 0.608020
H -7.008603 -1.328103 -1.015620


