%chk=000296497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296497

0 1
S 2.917447 -0.320653 1.291828
O -3.793065 0.833869 -0.883067
O -2.097199 -0.961017 1.646086
O -1.823173 2.634768 -0.487297
O 2.714182 0.893209 2.450994
O 3.542156 0.315758 0.163427
O 3.591503 -1.391684 1.971382
N -0.583307 -0.913577 -0.720098
C -1.526214 0.203216 -0.421252
C 0.872184 -0.697762 -0.484334
C -2.815826 -0.182939 -1.202791
C -1.846236 0.337653 1.092901
C -0.996391 1.565658 -0.941880
C 1.238505 -0.657816 1.020642
C 1.616235 -1.835942 -1.192402
H 1.174594 0.278931 -0.954793
H -0.899638 -1.757813 -0.214460
H -2.635781 -0.203664 -2.291077
H -3.223531 -1.155100 -0.875117
H -2.699813 1.017926 1.264771
H -0.965822 0.699648 1.663817
H -0.942764 1.581327 -2.045649
H -0.002940 1.825366 -0.526470
H 0.925698 -1.609710 1.509131
H 0.584473 0.089246 1.544137
H 1.554664 -2.790566 -0.660175
H 2.678374 -1.591205 -1.338014
H 1.200104 -2.006082 -2.197377
H -4.509691 0.828941 -1.548764
H -3.042834 -1.194137 1.542560
H -2.773244 2.463765 -0.736625
H 3.508851 1.236785 2.877868


%chk=000296497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296497

0 1
S 3.214390 -0.092589 1.051840
O -3.808281 0.862571 -1.214958
O -2.602939 -1.087825 1.513504
O -1.937764 2.684038 -0.487594
O 3.099856 0.776369 2.716127
O 3.551868 0.985754 -0.111380
O 4.157081 -1.404787 1.188839
N -0.627399 -0.897836 -0.459238
C -1.598140 0.218543 -0.322871
C 0.837324 -0.750584 -0.454676
C -2.722599 -0.146700 -1.332467
C -2.176974 0.272996 1.120936
C -0.986116 1.597674 -0.703816
C 1.313095 -0.521250 1.002764
C 1.483166 -2.004574 -1.076459
H 1.117195 0.130932 -1.057769
H -0.967001 -1.736610 0.032073
H -2.294925 -0.144747 -2.353142
H -3.115108 -1.156191 -1.101039
H -3.008732 0.995365 1.181068
H -1.386926 0.576716 1.830003
H -0.644541 1.562350 -1.762502
H -0.116279 1.844084 -0.070318
H 1.239230 -1.413568 1.645973
H 0.876237 0.365602 1.485198
H 1.214341 -2.912578 -0.503692
H 2.584607 -1.931531 -1.092020
H 1.122853 -2.127521 -2.110936
H -4.495826 0.710346 -1.908058
H -3.588797 -1.131468 1.537361
H -2.817305 2.381154 -0.858969
H 4.025910 1.032264 2.994120


