%chk=000293060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293060

0 1
S 3.539614 -1.297869 0.070902
S -4.419117 -0.785955 0.776677
O 0.690367 3.571531 1.476928
O 2.638153 2.637118 -1.757936
O 3.414732 -0.465885 1.249361
O 3.569083 -2.734816 0.154328
O -4.045330 -2.173675 0.813522
O -5.330195 -0.195000 1.721451
N 2.219597 -0.880816 -0.982239
N -2.997021 0.190659 0.957944
N 4.925481 -0.791038 -0.799280
N -4.986435 -0.444817 -0.802804
C 0.597402 0.656239 0.113280
C 1.618140 1.760601 0.195627
C 0.922679 -0.617002 -0.410082
C -0.707819 0.890898 0.562166
C -1.686726 -0.122477 0.521288
C -0.056331 -1.631379 -0.428333
C -1.346116 -1.399590 0.030860
C 1.416625 2.601885 1.464328
C 1.627485 2.595535 -1.091876
C 2.176947 2.129445 2.655395
C 0.378726 3.326846 -1.447064
C 5.226310 -1.575551 -2.021182
C 5.052909 0.675996 -0.981826
C -5.426640 0.951970 -1.032860
C -4.181530 -1.013308 -1.909746
H 2.649866 1.301145 0.286197
H -0.970057 1.879529 0.947485
H 0.203616 -2.626488 -0.797773
H 2.133398 -1.422716 -1.854710
H -2.065700 -2.226767 0.050017
H -3.066274 1.037869 1.542665
H 1.616047 2.288258 3.587347
H 2.449367 1.054443 2.601784
H 3.127085 2.674739 2.762755
H 0.052558 3.973680 -0.607209
H 0.515978 3.965959 -2.330045
H -0.453791 2.639935 -1.650462
H 5.121955 -2.657987 -1.812550
H 6.286255 -1.414023 -2.296247
H 4.613036 -1.308930 -2.896024
H 5.053172 1.166571 0.009476
H 6.023098 0.913489 -1.451175
H 4.258323 1.137047 -1.603922
H -4.602619 1.674993 -1.141345
H -6.039471 0.994425 -1.952148
H -6.084991 1.276519 -0.202678
H -3.998549 -2.089359 -1.718930
H -4.758745 -0.956060 -2.850630
H -3.214645 -0.509714 -2.073407


%chk=000293060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293060

0 1
S 3.922810 -1.385669 0.267052
S -4.708622 -0.977138 0.435794
O 0.260125 3.180124 1.409794
O 2.562847 2.567972 -1.779896
O 3.735501 -0.495845 1.626930
O 4.242738 -2.981843 0.369020
O -4.412439 -2.414868 -0.254520
O -5.823569 -0.768464 1.590059
N 2.036772 -1.014246 -1.122378
N -2.910140 -0.562609 1.498960
N 5.420693 -0.619662 -0.625750
N -5.326727 0.113308 -1.023521
C 0.474537 0.339823 0.178051
C 1.485589 1.481616 0.115766
C 0.850712 -0.933391 -0.425838
C -0.792880 0.464268 0.752495
C -1.702694 -0.647216 0.830358
C -0.073539 -2.043257 -0.333851
C -1.320541 -1.914274 0.261392
C 1.319079 2.508868 1.270212
C 1.470823 2.260244 -1.237581
C 2.514885 2.650139 2.183756
C 0.125742 2.658626 -1.806080
C 5.646843 -1.260682 -1.939091
C 5.386029 0.857260 -0.613292
C -5.695393 1.475591 -0.599314
C -4.508097 -0.019722 -2.241713
H 2.495596 1.059506 0.203025
H -1.096580 1.430488 1.172478
H 0.236941 -3.010490 -0.748501
H 2.141560 -1.955004 -1.562239
H -2.020240 -2.751784 0.329639
H -3.105487 0.361469 1.932211
H 2.288251 3.322193 3.025113
H 2.838532 1.654674 2.542667
H 3.368567 3.058381 1.606064
H -0.475742 3.150191 -1.018425
H 0.260091 3.329330 -2.668025
H -0.428622 1.755585 -2.123483
H 5.531981 -2.352427 -1.832913
H 6.694068 -1.055769 -2.228979
H 4.978120 -0.878439 -2.739189
H 5.250345 1.201168 0.424797
H 6.375294 1.203062 -0.967885
H 4.601955 1.304529 -1.262286
H -4.843340 2.189793 -0.581749
H -6.448135 1.853535 -1.317244
H -6.173764 1.427218 0.393427
H -4.179238 -1.067447 -2.341438
H -5.160955 0.215403 -3.104309
H -3.630379 0.661982 -2.272271


