%chk=000291469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291469

0 1
S -2.997862 1.071200 1.882183
S 4.029764 0.979378 -1.451867
O -2.343012 -5.017942 -1.213058
O -4.009200 0.416865 2.686208
O -2.015284 1.941473 2.488167
O 4.890750 0.715998 -2.586785
O 3.523929 2.307711 -1.196362
N -1.421187 -2.455267 -0.389182
N -2.190159 -0.239466 1.120937
N 2.699930 -0.079857 -1.735999
C -0.703769 -3.701243 0.041408
C -2.053331 -2.642524 -1.738106
C -0.544213 -1.287244 -0.371781
C -1.722651 -4.850962 0.078633
C -3.027999 -3.827495 -1.653200
C -0.955913 -0.182465 0.428595
C 0.657595 -1.231779 -1.083525
C 1.473961 -0.085977 -1.015292
C -0.116237 0.946149 0.497561
C 1.068985 1.007539 -0.228024
C -3.755792 1.900995 0.569638
C 4.749667 0.353734 -0.014698
C -5.081455 1.600223 0.237780
C -3.056324 2.874403 -0.150226
C 5.826628 -0.534856 -0.113906
C 4.270882 0.737486 1.242095
C -5.704682 2.264722 -0.821890
C -3.677803 3.539508 -1.211763
C -5.000751 3.232891 -1.547368
C 6.418638 -1.047357 1.043225
C 4.861303 0.224209 2.401063
C 5.933422 -0.668588 2.300500
H -0.281413 -3.524888 1.054120
H 0.142500 -3.968891 -0.626833
H -1.307405 -2.821579 -2.541957
H -2.599100 -1.709984 -1.997365
H -2.507721 -4.681462 0.836490
H -1.240465 -5.831304 0.238397
H -3.408546 -4.126589 -2.645658
H -3.867533 -3.621196 -0.966273
H 0.962154 -2.082600 -1.690069
H -0.370859 1.790896 1.150956
H -2.599980 -1.190455 1.177923
H 1.660992 1.930121 -0.195112
H 2.740827 -0.719445 -2.538691
H -5.636388 0.850813 0.814194
H -2.024200 3.126817 0.116377
H 6.213386 -0.822840 -1.098480
H 3.438098 1.444481 1.326971
H -6.736966 2.032217 -1.079390
H -3.131498 4.296503 -1.773600
H -5.486279 3.752014 -2.375034
H 7.257544 -1.737694 0.966537
H 4.485812 0.521734 3.379888
H 6.394512 -1.069132 3.204651


%chk=000291469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291469

0 1
S -1.824433 0.876742 -0.477883
S 4.187603 0.826427 -1.890376
O -3.157887 -3.743362 0.429976
O -2.889280 -0.353794 -1.008755
O -0.420672 0.196590 0.230843
O 5.792487 0.879423 -2.112424
O 3.170702 1.633559 -2.864451
N -0.977515 -2.739501 -1.197313
N -1.663107 -0.914778 -3.506911
N 3.582335 -1.191272 -1.997365
C -0.775345 -3.019696 0.248332
C -2.125935 -3.490561 -1.786298
C -0.063359 -2.040085 -1.931846
C -2.118737 -2.883808 1.009187
C -3.413960 -3.316725 -0.956320
C -0.465258 -1.405295 -3.245409
C 1.269797 -1.826538 -1.490909
C 2.249734 -1.319305 -2.373651
C 0.617478 -1.091913 -4.192342
C 1.914977 -0.991256 -3.760486
C -2.758815 1.459457 1.083777
C 3.828295 1.168707 -0.053661
C -4.116528 1.120468 1.213499
C -2.074511 2.221334 2.050185
C 4.945693 1.440730 0.756497
C 2.500979 1.117089 0.405052
C -4.815390 1.557043 2.364066
C -2.784831 2.657685 3.193324
C -4.152415 2.326502 3.348803
C 4.705778 1.685916 2.127902
C 2.294030 1.353924 1.786620
C 3.386070 1.639529 2.639286
H -0.089639 -2.267011 0.665148
H -0.371413 -4.044548 0.372073
H -1.842134 -4.563228 -1.758368
H -2.284187 -3.191875 -2.832140
H -2.435289 -1.824732 0.977941
H -1.987410 -3.225542 2.048446
H -4.201803 -3.985583 -1.337573
H -3.732775 -2.257260 -0.974382
H 1.571685 -2.104537 -0.476992
H 0.310165 -0.792267 -5.198097
H -2.308928 -0.891830 -2.658217
H 2.719916 -0.655417 -4.418722
H 3.771208 -1.507365 -1.025330
H -4.590366 0.510504 0.436056
H -1.013292 2.459842 1.921155
H 5.953249 1.464397 0.329027
H 1.623769 0.894852 -0.219876
H -5.873033 1.298947 2.487586
H -2.272981 3.252908 3.957800
H -4.698813 2.666468 4.235720
H 5.548283 1.912226 2.789605
H 1.269694 1.292704 2.166302
H 3.211417 1.824112 3.704891


