%chk=000278672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278672

0 1
S 7.164435 -0.501443 0.979182
O -4.049446 0.406259 0.311638
O 0.412237 2.748156 -1.423088
O 7.301321 0.721682 2.143917
O 7.203017 -1.738926 1.715589
O 8.217928 -0.181771 0.043489
N -2.987082 -1.975675 0.176285
N 1.827526 0.548085 -1.304308
C -3.154339 -3.455795 0.215797
C -4.132305 -3.814819 1.354414
C -3.654508 -3.979136 -1.148568
C -5.580418 -3.417450 1.042641
C -5.103595 -3.570432 -1.438332
C -6.043190 -3.992925 -0.301772
C -1.834168 -1.328463 -0.179047
C -1.772374 0.094410 -0.257979
C -0.550037 0.722178 -0.640283
C -0.636728 -2.089883 -0.457489
C 0.592551 -0.037834 -0.878132
C -2.950925 0.902770 0.073802
C 0.529178 -1.468805 -0.789676
C -0.503584 2.208669 -0.821833
C -2.801569 2.388798 0.160398
C -1.618402 3.016149 -0.258993
C -3.855018 3.157305 0.667977
C -1.490120 4.407439 -0.168534
C 3.060333 0.307406 -0.693268
C -3.722340 4.547990 0.764254
C -2.543139 5.171331 0.348530
C 4.204374 0.933074 -1.265738
C 3.218153 -0.542747 0.429793
C 5.620484 -0.188743 0.355271
C 5.459863 0.676920 -0.742110
C 4.488082 -0.781495 0.935710
H -2.158535 -3.928570 0.439124
H -3.806309 -3.338889 2.300122
H -4.077104 -4.907694 1.529640
H -3.571403 -5.083688 -1.155645
H -2.994007 -3.616453 -1.959334
H -5.679357 -2.313077 1.033249
H -6.245647 -3.769425 1.854227
H -5.435512 -4.023945 -2.391693
H -5.163787 -2.474157 -1.588789
H -6.091112 -5.097197 -0.242815
H -7.073862 -3.654526 -0.520564
H -3.859390 -1.423128 0.314517
H -0.683567 -3.179681 -0.399740
H 1.429767 -2.048639 -1.017247
H 1.735790 1.403037 -1.887049
H -4.777114 2.659137 0.983606
H -0.566416 4.885362 -0.507865
H -4.544054 5.143627 1.163518
H -2.441036 6.254434 0.422766
H 4.093000 1.605295 -2.114136
H 2.352316 -0.981826 0.919141
H 6.342069 1.149009 -1.193354
H 4.607166 -1.444945 1.802156
H 8.200407 0.972461 2.390431


%chk=000278672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278672

0 1
S 7.614874 -0.830122 0.179854
O -4.256781 0.344325 0.444823
O 0.511761 2.988609 -0.519032
O 7.990247 0.238878 1.660279
O 7.738012 -2.379270 0.635875
O 8.469399 -0.270597 -1.076667
N -3.057201 -1.934180 0.419798
N 1.817146 0.803680 -0.427602
C -3.228875 -3.398515 0.507135
C -4.477130 -3.707630 1.375335
C -3.375119 -4.047635 -0.902077
C -5.801314 -3.303475 0.680619
C -4.693204 -3.630988 -1.597151
C -5.922939 -3.959263 -0.715866
C -1.889017 -1.266666 0.166233
C -1.864530 0.179752 0.083648
C -0.611357 0.870707 -0.131991
C -0.652685 -1.978313 -0.045767
C 0.614579 0.124158 -0.237711
C -3.114148 0.931052 0.227977
C 0.546900 -1.310272 -0.232626
C -0.586682 2.339118 -0.261202
C -3.075829 2.410402 0.129834
C -1.849009 3.093296 -0.109437
C -4.276063 3.153515 0.269498
C -1.836940 4.509532 -0.207842
C 3.137755 0.356430 -0.270347
C -4.255489 4.557264 0.173501
C -3.031653 5.238123 -0.066149
C 4.156352 1.087701 -0.956413
C 3.516117 -0.726299 0.581045
C 5.833081 -0.343462 0.015448
C 5.510347 0.746540 -0.814013
C 4.869616 -1.080263 0.725044
H -2.340323 -3.827808 1.012799
H -4.379743 -3.203514 2.355522
H -4.490234 -4.798539 1.569028
H -3.355620 -5.149474 -0.775154
H -2.506758 -3.777119 -1.533505
H -5.862293 -2.201113 0.578289
H -6.654217 -3.601390 1.319617
H -4.774291 -4.141382 -2.575642
H -4.670295 -2.542468 -1.805025
H -6.003294 -5.059967 -0.596437
H -6.850517 -3.621456 -1.215748
H -3.878154 -1.293686 0.519681
H -0.659132 -3.070808 -0.077872
H 1.451179 -1.889376 -0.435249
H 1.644271 1.831442 -0.609213
H -5.203365 2.602339 0.451314
H -0.879934 5.005638 -0.394275
H -5.184482 5.127107 0.283192
H -3.019499 6.330742 -0.140208
H 3.868724 1.921517 -1.605226
H 2.765087 -1.252092 1.175183
H 6.295113 1.291305 -1.347536
H 5.170860 -1.907142 1.375680
H 8.955191 0.099911 1.890537


