%chk=000265166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265166

0 1
S 0.176172 0.470197 -1.192972
O 2.843135 2.652364 1.227204
O 0.839798 1.845865 1.057339
O 6.240047 -2.238811 -0.654679
O 6.452560 -0.666554 0.820200
N -4.692655 -0.424844 0.135874
N 2.040491 1.809325 0.871601
N 5.823383 -1.289590 -0.014889
C -5.222005 0.979808 0.147826
C -5.616810 -1.352153 0.871146
C -6.600484 1.023531 -0.531769
C -7.002343 -1.342587 0.203339
C -7.586336 0.074758 0.160889
C -3.313128 -0.482024 0.722948
C -2.308852 -0.022927 -0.354721
C -0.882184 -0.196421 0.143889
C 1.797901 -0.081555 -0.761746
C 2.584322 0.624508 0.160537
C 2.334279 -1.174819 -1.447558
C 3.911312 0.247570 0.408974
C 3.649767 -1.572966 -1.205570
C 4.425935 -0.860520 -0.274182
H -5.291804 1.403156 1.173023
H -4.508334 1.617289 -0.418733
H -5.187756 -2.375973 0.813251
H -5.714979 -1.096617 1.947938
H -6.493475 0.735569 -1.597082
H -6.986586 2.058644 -0.523872
H -7.680640 -2.026190 0.744664
H -6.913592 -1.738348 -0.828680
H -8.553710 0.072640 -0.374378
H -7.802545 0.430155 1.185899
H -3.199941 0.132126 1.641683
H -3.086527 -1.531175 1.012528
H -2.488715 -0.605474 -1.284774
H -2.513869 1.034851 -0.624524
H -0.702848 0.369193 1.082332
H -0.637160 -1.255552 0.334942
H 1.724123 -1.719224 -2.176939
H 4.536952 0.812634 1.119492
H 4.086301 -2.432961 -1.731250


%chk=000265166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265166

0 1
S 0.211188 0.227468 -1.504768
O 2.898997 2.589237 1.376190
O 0.775483 1.893695 0.929063
O 6.510645 -2.142686 -0.478468
O 6.506070 -0.547100 1.156133
N -4.796748 -0.436492 0.132492
N 2.055131 1.754419 0.864890
N 5.948293 -1.190865 0.188078
C -5.271965 0.971821 0.166864
C -5.708105 -1.331569 0.894447
C -6.691761 1.096506 -0.422486
C -7.141118 -1.279369 0.326367
C -7.677771 0.169900 0.323900
C -3.384540 -0.580154 0.554880
C -2.391993 -0.105814 -0.536595
C -0.941798 -0.326651 -0.080450
C 1.893946 -0.127934 -0.870899
C 2.609266 0.577075 0.146447
C 2.597942 -1.154486 -1.561580
C 3.934418 0.237042 0.493223
C 3.916610 -1.511585 -1.235344
C 4.562239 -0.814471 -0.190794
H -5.275347 1.361769 1.220282
H -4.572647 1.601329 -0.411607
H -5.313632 -2.363247 0.830611
H -5.735788 -1.050887 1.981482
H -6.658431 0.818197 -1.493482
H -7.021859 2.151226 -0.359518
H -7.797088 -1.939337 0.926152
H -7.126111 -1.670644 -0.709213
H -8.680082 0.212032 -0.142356
H -7.791892 0.521449 1.370491
H -3.175019 -0.032723 1.510722
H -3.200997 -1.654158 0.754797
H -2.606416 -0.666320 -1.465340
H -2.546291 0.967505 -0.753347
H -0.683467 0.280415 0.799300
H -0.724530 -1.392246 0.104257
H 2.070265 -1.686992 -2.357858
H 4.462397 0.797251 1.269164
H 4.441707 -2.315709 -1.756928


