%chk=000219173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219173

0 1
S 2.301910 -0.635161 0.739476
O 2.936304 0.610138 1.129432
O 2.422115 -1.792871 1.603532
O -4.253903 -0.592741 -0.396696
O -4.016443 1.656006 -0.330784
N 2.832223 -1.133012 -0.821578
C 3.897208 -2.173187 -0.838924
C 2.928976 -0.085351 -1.873064
C 0.611911 -0.305148 0.447531
C 5.243966 -1.732734 -0.268342
C 3.983193 0.992623 -1.634759
C 0.169480 1.018655 0.386457
C -0.284912 -1.363528 0.295812
C -2.082385 0.226463 -0.004765
C -1.182017 1.290406 0.157863
C -1.640404 -1.100270 0.066818
C -3.516574 0.557196 -0.249392
C -5.697879 -0.455663 -0.610120
C -6.383080 -0.152850 0.704683
H 3.511053 -3.047961 -0.257971
H 4.024354 -2.521620 -1.888786
H 3.126222 -0.594105 -2.845885
H 1.921071 0.381609 -1.973618
H 5.616346 -0.817635 -0.752816
H 5.189167 -1.528810 0.810099
H 6.001937 -2.512306 -0.404030
H 3.816374 1.534109 -0.687106
H 4.994063 0.563209 -1.565997
H 3.987633 1.732549 -2.440592
H 0.877408 1.844823 0.528791
H 0.062423 -2.399972 0.362733
H -1.544810 2.321331 0.108153
H -2.354634 -1.919618 -0.053388
H -5.867303 0.327226 -1.370855
H -5.939078 -1.457264 -1.010939
H -7.474479 -0.201910 0.609406
H -6.083911 -0.859316 1.489960
H -6.129625 0.856590 1.063462


%chk=000219173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219173

0 1
S 2.374335 -0.575906 0.772350
O 3.019219 0.856700 1.238677
O 2.498057 -1.891959 1.725448
O -4.366515 -0.575031 -0.398870
O -4.081500 1.736846 -0.228257
N 2.935994 -1.149069 -0.912811
C 4.027038 -2.164838 -0.823937
C 3.002766 -0.048552 -1.914600
C 0.541144 -0.242697 0.429058
C 5.341299 -1.772908 -0.107816
C 4.212176 0.915525 -1.893809
C 0.110309 1.093679 0.419010
C -0.315502 -1.343450 0.262354
C -2.158167 0.254544 0.016221
C -1.262708 1.338099 0.206236
C -1.685595 -1.084175 0.050608
C -3.602997 0.575710 -0.206161
C -5.835403 -0.374696 -0.607126
C -6.567558 -0.314374 0.735905
H 3.596448 -3.047571 -0.319589
H 4.222799 -2.448424 -1.877237
H 2.937747 -0.558243 -2.897003
H 2.065803 0.532722 -1.812011
H 5.844272 -0.913009 -0.577663
H 5.144541 -1.530320 0.950786
H 6.034263 -2.634650 -0.129580
H 4.324763 1.380021 -0.899685
H 5.151991 0.403180 -2.160945
H 4.046592 1.717725 -2.637348
H 0.827510 1.902044 0.595476
H 0.074201 -2.364598 0.308160
H -1.659755 2.357853 0.187852
H -2.393910 -1.904899 -0.087053
H -5.982486 0.552177 -1.188463
H -6.131828 -1.252246 -1.203503
H -7.658026 -0.259469 0.560739
H -6.360389 -1.214565 1.339593
H -6.267029 0.578724 1.308793


