%chk=000259492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259492

0 1
S -2.707013 -0.835504 1.199220
S 2.681652 -1.556181 -0.956539
O -2.782789 0.017934 2.365843
O -2.541491 -2.262778 1.382762
O 2.596509 -1.710163 -2.398541
O 2.735305 -2.723810 -0.109184
O -7.011821 2.269290 -2.173871
O 7.450468 0.761567 2.420348
O -5.217059 3.089655 -1.283614
O 5.919535 -0.610023 3.100912
N -1.464405 -0.163142 0.216420
N 1.390451 -0.511684 -0.524768
N -5.977377 2.170856 -1.536336
N 6.441583 0.096984 2.256631
C -1.082346 -0.837404 -1.064274
C 0.982970 -0.338734 0.903668
C -0.338431 0.474149 0.950940
C 0.307923 -0.327407 -1.526517
C -1.109937 -2.363890 -1.010167
C 0.846104 -1.636824 1.694406
C -4.117473 -0.600757 0.200379
C 4.069677 -0.565753 -0.588613
C -4.457715 0.673068 -0.249965
C 4.677570 -0.648271 0.662388
C -4.919712 -1.703595 -0.114818
C 4.576359 0.293682 -1.569622
C -5.611021 0.828074 -1.036848
C 5.793938 0.160569 0.927966
C -6.072328 -1.539002 -0.892421
C 5.695409 1.091424 -1.299099
C -6.425829 -0.272529 -1.357219
C 6.310195 1.030709 -0.049033
H -1.840102 -0.489097 -1.822574
H 1.790311 0.289386 1.376020
H -0.623380 0.672492 2.013046
H -0.173578 1.479724 0.493684
H 0.578255 -0.815370 -2.495571
H 0.242224 0.766736 -1.742360
H -0.563702 -2.761925 -0.131174
H -2.122965 -2.776318 -0.939289
H -0.644303 -2.810743 -1.897150
H 1.784396 -2.209123 1.761838
H 0.515074 -1.451089 2.723220
H 0.111615 -2.333799 1.247128
H -3.845028 1.554646 -0.005476
H 4.307637 -1.339524 1.437119
H -4.644453 -2.704440 0.250918
H 4.103004 0.336687 -2.560141
H -6.696786 -2.401804 -1.131812
H 6.088909 1.758215 -2.068447
H -7.326280 -0.121934 -1.966440
H 7.188252 1.646968 0.182821


%chk=000259492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259492

0 1
S -2.711862 -0.714627 1.279799
S 2.650967 -1.518051 -1.081735
O -2.782375 0.432549 2.434841
O -2.582575 -2.281051 1.733948
O 2.640463 -1.563065 -2.712656
O 2.659635 -2.917140 -0.239845
O -7.352903 1.990706 -2.330611
O 7.795498 0.080314 2.504806
O -5.522415 3.009121 -1.424755
O 6.291559 -1.591954 2.894468
N -1.449118 -0.056096 0.082563
N 1.316968 -0.285473 -0.666568
N -6.259459 1.975577 -1.648056
N 6.740919 -0.599339 2.207036
C -1.114203 -0.853671 -1.151616
C 0.997185 0.003448 0.777118
C -0.376443 0.728250 0.739286
C 0.221575 -0.249624 -1.663105
C -1.016249 -2.393664 -1.024931
C 0.968775 -1.178101 1.777883
C -4.251970 -0.614153 0.182440
C 4.166876 -0.532147 -0.524152
C -4.633009 0.639006 -0.312740
C 4.841150 -0.949786 0.628142
C -4.979238 -1.796679 -0.028963
C 4.578823 0.543149 -1.330409
C -5.814560 0.670541 -1.082335
C 5.987208 -0.205389 0.982951
C -6.163255 -1.719989 -0.801055
C 5.734619 1.259059 -0.942747
C -6.587796 -0.485152 -1.334086
C 6.444539 0.890744 0.221033
H -1.895718 -0.620878 -1.904257
H 1.752013 0.735928 1.131141
H -0.701558 0.968321 1.768946
H -0.280347 1.690012 0.201014
H 0.555111 -0.790682 -2.568240
H 0.063896 0.805086 -1.957964
H -0.162171 -2.716596 -0.406832
H -1.927628 -2.837461 -0.593934
H -0.876385 -2.810086 -2.039442
H 1.896331 -1.771152 1.757306
H 0.850327 -0.760190 2.794366
H 0.127301 -1.867228 1.597283
H -4.058604 1.550009 -0.123868
H 4.519953 -1.817640 1.212705
H -4.629199 -2.736776 0.410914
H 4.021691 0.797484 -2.237433
H -6.752640 -2.623613 -0.982100
H 6.082685 2.100067 -1.549628
H -7.497903 -0.397953 -1.933345
H 7.341517 1.426232 0.543208


