%chk=000238042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238042

0 1
S -2.018803 -1.956887 -1.289345
S 1.256255 -1.393850 0.091960
O -2.777172 -2.922382 -2.048288
O -0.942903 -2.374130 -0.404556
O 1.492417 -2.778217 0.388088
O 0.256173 -0.533158 0.715164
O -6.908062 1.863071 1.070613
O 6.493039 2.606966 1.122320
O -5.393897 2.282269 2.559598
O 7.533955 0.728857 0.851432
N -1.249874 -0.972118 -2.476589
N 1.094716 -1.181771 -1.621366
N -5.797515 1.726122 1.553590
N 6.522557 1.405952 0.915272
C 0.024408 -0.293788 -2.135482
C -3.103433 -0.891088 -0.460262
C 2.794767 -0.573671 0.342206
C -4.395249 -0.702176 -0.967822
C 2.814122 0.798203 0.599073
C -2.691675 -0.246106 0.706683
C 3.980064 -1.308903 0.289162
C -5.282815 0.152986 -0.312604
C 4.033482 1.455805 0.790101
C -3.572024 0.614762 1.374851
C 5.208877 -0.667315 0.477623
C -4.854386 0.805143 0.852776
C 5.218359 0.711735 0.721091
H 0.410778 0.211960 -3.058207
H -0.193200 0.503262 -1.374825
H -1.300898 -1.290007 -3.453183
H 1.251533 -2.010416 -2.209904
H -4.720345 -1.231491 -1.872206
H 1.877013 1.362936 0.666906
H -1.670550 -0.410185 1.113771
H 3.955183 -2.392201 0.114699
H -6.297683 0.315611 -0.692301
H 4.070764 2.531688 0.992759
H -3.263152 1.129758 2.292058
H 6.150272 -1.226626 0.439445


%chk=000238042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238042

0 1
S -2.315436 -2.143784 -1.529809
S 1.386422 -1.403320 0.249121
O -3.270597 -2.892389 -2.610379
O -1.381486 -2.957250 -0.474597
O 1.665727 -2.945509 0.663613
O 0.272822 -0.439860 0.968496
O -6.913359 2.138298 1.092907
O 6.680185 2.824258 1.061130
O -5.312613 2.273090 2.712878
O 7.800322 0.863445 0.733551
N -1.242747 -1.083850 -2.585580
N 1.100445 -1.333709 -1.627573
N -5.770156 1.819635 1.596570
N 6.717802 1.554953 0.839105
C -0.047614 -0.454541 -2.032951
C -3.352043 -0.889763 -0.567361
C 3.028573 -0.478466 0.414855
C -4.596920 -0.541605 -1.118093
C 2.993415 0.902082 0.668723
C -2.854482 -0.410646 0.655566
C 4.209708 -1.231034 0.308426
C -5.403239 0.359854 -0.394496
C 4.222539 1.578476 0.810966
C -3.665385 0.495990 1.372208
C 5.438062 -0.553450 0.450754
C -4.917313 0.862688 0.833048
C 5.418429 0.837741 0.691737
H 0.323918 0.223622 -2.823899
H -0.323067 0.165917 -1.157590
H -1.186109 -1.524364 -3.516045
H 0.960500 -2.333234 -1.879802
H -4.926546 -0.979230 -2.065499
H 2.036990 1.421768 0.779154
H -1.874132 -0.724078 1.035008
H 4.167935 -2.311969 0.143867
H -6.385240 0.672672 -0.757639
H 4.269092 2.651316 1.013551
H -3.344240 0.913396 2.329625
H 6.394935 -1.076551 0.380752


