%chk=000274738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274738

0 1
S 9.798571 0.445645 -0.505257
F 10.514001 0.506426 0.899545
O -2.454020 -0.116246 0.369104
O 3.685753 -0.274107 2.232651
O 10.271864 -0.777490 -1.075904
O 10.060852 1.730824 -1.076160
N -9.207668 -1.190431 -0.303260
N -9.007651 1.012938 0.760524
N -7.110483 2.342314 0.463842
N 3.116882 0.133634 0.027385
N -11.022256 -0.221595 0.874098
C -5.808507 0.266661 -1.192633
C -4.714055 -0.152556 -0.200355
C -7.172259 0.106562 -0.597406
C -3.322408 0.041976 -0.796431
C -7.950291 -1.051638 -0.811062
C -7.750323 1.128774 0.211604
C -1.094067 -0.040595 0.180773
C -7.456063 -2.215213 -1.606871
C 1.683484 0.065471 0.120331
C -9.709353 -0.133431 0.441012
C -0.365251 -0.228188 1.376096
C -0.449164 0.197920 -1.038055
C 1.019592 -0.174565 1.343523
C 0.947504 0.249594 -1.062551
C 5.458273 0.085165 0.658488
C 4.014883 -0.042186 1.087554
C 8.138850 0.307300 -0.052750
C 6.222849 -1.073327 0.482834
C 6.021784 1.353988 0.482154
C 7.569932 -0.957966 0.125588
C 7.369671 1.461850 0.126927
H -5.655043 1.315404 -1.523657
H -5.722399 -0.331378 -2.123967
H -4.854414 -1.209453 0.104603
H -4.794739 0.419002 0.746593
H -3.063302 -0.727853 -1.541658
H -3.167016 1.051960 -1.211302
H -8.164020 -3.062063 -1.574771
H -6.491405 -2.581662 -1.229967
H -7.330862 -1.945997 -2.665673
H -0.903277 -0.413289 2.305386
H -1.004941 0.342339 -1.958798
H 1.594804 -0.319529 2.266887
H 1.451185 0.434053 -2.010208
H -6.105008 2.377628 0.419754
H -7.534054 2.962702 1.143490
H 3.488299 0.317378 -0.907021
H 5.776448 -2.058131 0.635921
H 5.420563 2.252220 0.633378
H 8.173154 -1.863201 -0.019367
H 7.816448 2.453780 -0.016685
H -11.491565 -1.113228 0.821887
H -11.355778 0.440009 1.558238


%chk=000274738-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274738

0 1
S 10.007729 0.647507 -0.629301
F 10.438343 1.834069 0.734076
O -2.472566 -0.348601 0.599666
O 3.932154 -1.023123 2.055037
O 10.893972 -0.666482 -0.370497
O 10.091847 1.494109 -1.992427
N -9.363174 -1.081980 -0.572516
N -9.190981 0.984235 0.727632
N -7.246555 2.253052 0.765412
N 3.154583 0.016552 0.093925
N -11.157821 -0.284378 0.702613
C -5.837467 0.387648 -1.054725
C -4.798652 -0.110978 -0.007447
C -7.275072 0.199310 -0.603304
C -3.361820 0.129156 -0.475161
C -8.071867 -0.906747 -1.000512
C -7.903875 1.131980 0.289535
C -1.089196 -0.232957 0.409510
C -7.549485 -1.978679 -1.937839
C 1.740059 -0.093491 0.245075
C -9.859248 -0.118846 0.272111
C -0.282232 -0.698346 1.477669
C -0.475368 0.304487 -0.750394
C 1.118680 -0.634707 1.406138
C 0.930460 0.369484 -0.822636
C 5.566265 -0.101197 0.525365
C 4.151369 -0.405957 0.965740
C 8.223948 0.353522 -0.148065
C 6.591147 -0.917624 1.071940
C 5.907723 0.965029 -0.349609
C 7.941735 -0.701133 0.736582
C 7.253483 1.206503 -0.696956
H -5.642855 1.458220 -1.284278
H -5.671648 -0.150890 -2.006298
H -4.946448 -1.190999 0.174500
H -4.954567 0.395098 0.963389
H -3.149578 -0.428554 -1.411875
H -3.175426 1.209617 -0.657532
H -8.308667 -2.770137 -2.027812
H -6.608370 -2.427077 -1.569219
H -7.349085 -1.570918 -2.947217
H -0.775650 -1.111364 2.362483
H -1.069768 0.669743 -1.592167
H 1.738202 -1.000110 2.226300
H 1.397523 0.786978 -1.724438
H -6.286903 2.465581 0.515906
H -7.762658 2.873934 1.384780
H 3.461489 0.410180 -0.798288
H 6.303734 -1.709027 1.770517
H 5.143854 1.649882 -0.734781
H 8.740986 -1.331275 1.138329
H 7.535782 2.023941 -1.367269
H -11.678806 -1.096058 0.384016
H -11.565258 0.400021 1.332710


