%chk=000280462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280462

0 1
S 0.108899 2.867377 -0.417733
O -0.289536 2.905516 -1.799464
O 1.326768 3.510061 0.001382
O -5.244410 -1.967523 1.250299
O 4.973513 -3.068885 -0.059484
O 6.102566 -1.263762 0.316496
N 0.241994 1.163843 0.009435
N 5.056547 -1.861312 0.112603
C -1.016091 0.439175 0.050593
C -1.433560 -0.196606 1.242804
C 1.448199 0.413261 0.015149
C -1.825832 0.428939 -1.093839
C -3.075055 -0.206473 -1.080806
C -2.684148 -0.825667 1.241571
C -3.504393 -0.836980 0.104148
C -0.580211 -0.228747 2.464922
C -1.204912 3.384388 0.592131
C 1.415817 -0.989807 -0.189175
C 2.687017 1.054850 0.244084
C -3.910758 -0.198728 -2.316863
C 2.589795 -1.727532 -0.159066
C 3.859477 0.313503 0.271035
C 3.816436 -1.079690 0.075526
C -4.817535 -1.535455 0.200486
H -1.474242 0.915345 -2.014080
H -3.047456 -1.326951 2.148041
H -1.149630 -0.474867 3.371707
H 0.212533 -0.990055 2.367387
H -0.072372 0.727931 2.650049
H -1.180767 4.469062 0.795611
H -2.200283 3.193866 0.156056
H -1.228502 2.915188 1.589658
H 0.471410 -1.498393 -0.386489
H 2.748020 2.141618 0.405528
H -3.451949 0.380883 -3.133705
H -4.062320 -1.215478 -2.710513
H -4.901940 0.244529 -2.143664
H 2.575518 -2.812280 -0.319832
H 4.825136 0.803639 0.447999
H -5.386040 -1.644579 -0.736288


%chk=000280462-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280462

0 1
S 0.019815 2.854885 -0.295874
O -1.103922 2.843273 -1.489624
O 1.500233 3.495611 -0.575078
O -5.784797 -1.644871 0.881746
O 5.132931 -2.817756 -1.294764
O 6.238724 -0.943210 -0.600382
N 0.215982 0.803746 0.683510
N 5.156303 -1.621092 -0.802856
C -1.054058 0.199216 0.454066
C -1.894804 -0.026094 1.597395
C 1.404709 0.203666 0.231514
C -1.525396 -0.090869 -0.859232
C -2.815119 -0.613452 -1.091117
C -3.171523 -0.565893 1.359650
C -3.642720 -0.859440 0.050377
C -1.402774 0.249856 3.002548
C -0.749757 3.779698 1.183634
C 1.446782 -1.121940 -0.319126
C 2.639161 0.905369 0.436282
C -3.274307 -0.876067 -2.516252
C 2.670910 -1.720624 -0.644919
C 3.861002 0.317131 0.086773
C 3.867548 -0.991585 -0.451486
C -5.016975 -1.411334 -0.092710
H -0.877813 0.134734 -1.712374
H -3.848650 -0.775691 2.195932
H -2.239454 0.255658 3.720834
H -0.682801 -0.524512 3.328482
H -0.864208 1.211395 3.062103
H -0.927536 4.807062 0.836009
H -1.682555 3.252398 1.424156
H -0.011498 3.726500 1.994093
H 0.518733 -1.685052 -0.446608
H 2.620221 1.907863 0.867857
H -2.482142 -0.602720 -3.231830
H -3.525816 -1.939541 -2.683936
H -4.168864 -0.280578 -2.774859
H 2.722839 -2.735483 -1.047861
H 4.808385 0.842228 0.230566
H -5.359083 -1.619282 -1.132938


