%chk=000225601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225601

0 1
S -2.427568 0.829872 -0.704950
O -2.119724 0.936381 -2.120324
O -3.404524 1.734470 -0.122837
N -0.917809 0.973868 0.128687
C 0.138268 1.765749 -0.580752
C -0.031575 3.284666 -0.341127
C -0.161329 3.638982 1.145561
C -1.028392 1.308093 1.576670
C -1.259343 2.808518 1.820545
C 1.541496 1.286163 -0.151026
C 1.811833 -0.160411 -0.589848
C -2.899238 -0.794776 -0.323672
C 3.197065 -0.589012 -0.189764
C -4.008182 -1.018017 0.498416
C -2.183519 -1.873601 -0.849474
C 4.277087 -0.402430 -1.066690
C 3.421360 -1.172059 1.067297
C -4.398285 -2.325114 0.803123
C -2.572208 -3.182527 -0.544924
C 5.563210 -0.798152 -0.690442
C 4.709410 -1.565883 1.438808
C -3.678539 -3.406235 0.281330
C 5.782934 -1.380833 0.561793
H 0.024047 1.567060 -1.685894
H -0.930200 3.640986 -0.885299
H 0.817863 3.832262 -0.788926
H -0.387439 4.717209 1.252842
H 0.805974 3.476597 1.658527
H -0.082917 0.981020 2.069088
H -1.842797 0.706944 2.034248
H -1.292173 3.017768 2.904096
H -2.257175 3.101830 1.422096
H 1.661508 1.372498 0.946529
H 2.304565 1.958706 -0.589475
H 1.673604 -0.257766 -1.685706
H 1.048808 -0.831128 -0.141031
H -4.575681 -0.168518 0.897623
H -1.323121 -1.700861 -1.502906
H 4.113372 0.051808 -2.041631
H 2.590413 -1.317008 1.754061
H -5.262660 -2.501031 1.441414
H -2.016027 -4.024567 -0.953915
H 6.396789 -0.652093 -1.375328
H 4.877268 -2.018504 2.414461
H -3.982990 -4.426513 0.517781
H 6.784443 -1.688811 0.852243


%chk=000225601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225601

0 1
S -2.457987 0.842665 -0.782808
O -2.009171 0.859280 -2.351724
O -3.655978 1.826010 -0.247396
N -0.822987 0.986594 0.207097
C 0.174445 1.825848 -0.540731
C -0.021275 3.350768 -0.321836
C -0.151471 3.724446 1.173161
C -1.099571 1.407503 1.615776
C -1.304719 2.926123 1.823249
C 1.592572 1.318676 -0.158767
C 1.857995 -0.143486 -0.607437
C -2.960369 -0.916847 -0.307963
C 3.251200 -0.615655 -0.220309
C -4.072667 -1.069286 0.533961
C -2.232819 -1.988785 -0.850856
C 4.370516 -0.329818 -1.045596
C 3.472619 -1.314385 0.994935
C -4.467283 -2.387258 0.866058
C -2.643581 -3.297345 -0.508163
C 5.673095 -0.726062 -0.667867
C 4.773559 -1.713122 1.378426
C -3.752920 -3.493550 0.350040
C 5.879862 -1.418592 0.548118
H 0.013554 1.594947 -1.612821
H -0.939029 3.668148 -0.855950
H 0.825355 3.891683 -0.786793
H -0.338620 4.809823 1.273277
H 0.799706 3.516165 1.704183
H -0.221151 1.059116 2.197089
H -1.970277 0.832796 1.982199
H -1.361841 3.133670 2.909322
H -2.270162 3.222764 1.373199
H 1.763089 1.401227 0.931571
H 2.328067 1.991222 -0.643103
H 1.724894 -0.202400 -1.706052
H 1.084543 -0.787815 -0.150424
H -4.615546 -0.187762 0.891046
H -1.390238 -1.809605 -1.525750
H 4.217006 0.200755 -1.994123
H 2.617076 -1.552321 1.639926
H -5.331790 -2.545647 1.519118
H -2.101526 -4.158328 -0.912903
H 6.524142 -0.500430 -1.320817
H 4.924183 -2.255860 2.318844
H -4.065479 -4.510988 0.609091
H 6.888885 -1.729282 0.841801


