%chk=000106182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106182

0 1
S -1.091580 -1.155147 0.586461
F 0.855433 -2.670901 1.426637
F 1.223294 -1.814294 -0.460352
F 2.896541 -0.680714 1.313126
F 1.397877 -0.491269 2.770483
F 0.015681 1.357576 1.311701
F 1.979534 1.911047 1.811720
F 0.728413 0.785260 -1.296465
F 1.079409 2.758018 -0.661456
F 3.426220 0.159002 -1.148612
F 2.952289 1.790919 -2.382420
F 5.199116 2.458548 -1.130903
F 3.713414 3.552148 -0.089082
F 4.548859 1.801250 0.773305
O -1.621393 -1.203217 1.920913
O -1.108789 0.065022 -0.183310
O -5.385720 0.117532 0.412273
O -4.807439 -0.650382 -1.636608
N -1.646148 -2.482210 -0.318445
C 0.722187 -1.508628 0.753547
C 1.578430 -0.408341 1.430851
C 1.300579 1.074374 0.994595
C 1.546140 1.498620 -0.492932
C -2.635394 -3.385945 0.340761
C -4.107462 -2.976188 0.202868
C 3.000120 1.438264 -1.075824
C -1.920746 -2.206192 -1.752651
C -4.600744 -2.031434 1.302176
C 4.101206 2.306601 -0.380669
C -5.807155 -1.208746 0.862865
C -4.917289 0.278656 -0.865114
C -4.594530 1.725367 -1.099043
C -3.417743 2.219529 -0.339193
C -5.336929 2.436720 -1.946575
H -2.487168 -4.390771 -0.125503
H -2.357850 -3.499576 1.415559
H -4.279964 -2.509672 -0.799086
H -4.734954 -3.889622 0.193756
H -1.850317 -3.153754 -2.316078
H -2.929481 -1.773821 -1.935698
H -1.177280 -1.511331 -2.178747
H -4.853964 -2.610581 2.213006
H -3.793751 -1.340304 1.639911
H -6.397691 -1.683735 0.061244
H -6.461223 -0.929680 1.710923
H -3.565520 2.109159 0.747011
H -2.498222 1.652036 -0.591814
H -3.199569 3.276864 -0.536276
H -5.141180 3.478002 -2.167116
H -6.186347 2.040842 -2.486421


%chk=000106182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106182

0 1
S -1.343594 -0.307402 0.510587
F 0.507837 -2.330036 -0.175167
F 0.851807 -0.424231 -1.375687
F 3.041699 -1.202472 0.301955
F 1.600327 -1.284698 2.070568
F 1.007106 1.403522 1.822433
F 3.197498 0.849912 2.190302
F 1.516452 2.123376 -0.756106
F 2.790183 3.154655 0.831312
F 3.673683 0.624523 -1.625695
F 3.969779 2.887790 -1.589280
F 6.281220 1.622768 -1.073767
F 5.527417 2.581335 0.838974
F 5.397410 0.330363 0.559958
O -1.458207 -0.471840 2.114972
O -1.571584 1.101325 -0.249050
O -5.725415 -0.148430 0.455506
O -5.847874 -1.365528 -1.532296
N -2.457969 -1.530137 -0.233902
C 0.656327 -0.927804 -0.084175
C 1.854098 -0.622481 0.846154
C 2.171956 0.877815 1.213925
C 2.603727 1.940411 0.126166
C -2.639219 -2.802526 0.509826
C -4.147899 -3.066786 0.739326
C 3.883213 1.733327 -0.776206
C -2.475740 -1.547035 -1.711554
C -4.799124 -2.082392 1.755265
C 5.289275 1.563615 -0.088854
C -6.065407 -1.364542 1.258516
C -5.656386 -0.273091 -0.930297
C -5.335390 1.042430 -1.580354
C -4.917259 2.210385 -0.713405
C -5.431720 1.098220 -2.938739
H -2.171715 -3.631457 -0.058293
H -2.128144 -2.720930 1.486457
H -4.680810 -3.025716 -0.227083
H -4.235065 -4.108957 1.104829
H -1.702007 -2.215411 -2.139328
H -3.477299 -1.895581 -2.021369
H -2.348409 -0.521551 -2.095715
H -5.074887 -2.631315 2.677170
H -4.071802 -1.308664 2.066989
H -6.707207 -2.025295 0.647925
H -6.640584 -0.950344 2.102641
H -5.652216 2.395548 0.088663
H -3.947280 2.004257 -0.223594
H -4.809038 3.125284 -1.320181
H -5.217099 2.023154 -3.484580
H -5.733465 0.217537 -3.516444


