%chk=000279819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279819

0 1
S 1.791398 -1.317065 0.497928
O -0.137961 2.218163 1.810895
O 3.464998 1.152760 -1.259557
O -4.254490 0.672680 -1.569696
O -4.175813 0.485112 0.660351
O 5.954550 -0.999251 1.329401
O 0.038300 0.118070 -2.284075
O 0.929311 -1.850641 -2.493843
O 7.439281 -1.060678 -0.348496
O -4.613457 -3.121970 1.009445
O -4.625772 -2.234836 -0.966830
N 1.138732 1.693511 0.008386
N 4.755104 1.216123 0.627862
N -4.897900 3.394337 0.130017
N 0.210167 -1.044649 -1.955794
N -4.083723 -2.538209 0.089123
C 2.288678 1.342505 0.865264
C -2.410450 2.921251 0.364561
C -1.180827 2.399541 -0.380275
C 2.033436 0.054975 1.656850
C -3.719200 2.675349 -0.408739
C -0.058641 2.114508 0.595214
C 3.524793 1.196157 -0.046961
C 0.048226 -1.570297 0.482163
C -4.080030 1.190663 -0.317738
C -0.579699 -1.496638 -0.769741
C 5.982139 0.898561 -0.119348
C -0.683925 -1.917537 1.615904
C -1.931244 -1.805279 -0.919685
C -2.647959 -2.183664 0.226268
C -2.044213 -2.224459 1.492431
C 6.556807 -0.462976 0.210375
H 2.448545 2.186710 1.602558
H -2.468038 2.448168 1.375191
H -2.289296 4.003906 0.568735
H -1.412564 1.474122 -0.958753
H -0.852601 3.130589 -1.150250
H 1.153356 0.203800 2.325259
H 2.881888 -0.203329 2.320284
H 1.234138 1.502864 -1.001087
H -3.598948 2.956701 -1.493007
H 4.812648 1.066547 1.634347
H -4.991356 3.263117 1.135083
H -4.834739 4.390371 -0.055407
H 6.759294 1.677920 0.088208
H 5.783856 0.948223 -1.230207
H -0.206476 -1.961913 2.598826
H -2.430551 -1.753888 -1.896651
H -2.640664 -2.500298 2.372626
H -4.591942 -0.278856 -1.563134
H 6.310931 -1.902173 1.557018


%chk=000279819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279819

0 1
S 1.807882 -1.673388 0.300903
O -0.267477 1.635302 2.107656
O 3.325636 1.539004 -1.179703
O -4.302879 1.038684 -1.605774
O -4.393658 0.725494 0.693715
O 6.855770 -0.007789 1.750953
O -0.463447 -2.300994 -3.435950
O 1.346634 -2.808823 -2.137092
O 8.278181 0.279469 -0.071498
O -4.965941 -2.459626 0.846914
O -4.836889 -1.724997 -1.311032
N 1.109141 1.537146 0.251022
N 4.698218 0.808873 0.536482
N -4.815856 3.663177 0.473423
N 0.123393 -2.418289 -2.292280
N -4.300024 -2.061270 -0.169750
C 2.273548 1.076415 1.000349
C -2.369188 2.969299 0.600905
C -1.230450 2.200755 -0.103389
C 2.070964 -0.334552 1.624531
C -3.720749 2.929099 -0.176124
C -0.105140 1.793875 0.853903
C 3.476072 1.158598 0.023305
C -0.013005 -1.769878 0.164524
C -4.179394 1.470013 -0.296627
C -0.650627 -2.102550 -1.072569
C 5.894189 0.823285 -0.311078
C -0.861971 -1.558716 1.287766
C -2.053293 -2.153626 -1.202597
C -2.837933 -1.957480 -0.057587
C -2.256194 -1.676170 1.199572
C 7.138065 0.350073 0.419986
H 2.454736 1.759964 1.858423
H -2.525387 2.529003 1.603094
H -2.084556 4.028264 0.747326
H -1.628883 1.258421 -0.534937
H -0.823300 2.777033 -0.956185
H 1.224574 -0.285083 2.323471
H 2.965503 -0.667867 2.177943
H 1.284403 1.713817 -0.747767
H -3.592742 3.329231 -1.196749
H 4.821594 0.517086 1.508752
H -5.034884 3.359162 1.424830
H -4.825027 4.673522 0.332785
H 6.090185 1.839331 -0.704817
H 5.748739 0.183807 -1.202905
H -0.432406 -1.304220 2.258539
H -2.499576 -2.364720 -2.178068
H -2.895046 -1.526214 2.072706
H -4.607451 0.074288 -1.644197
H 7.684044 -0.316540 2.206196


