%chk=000240508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240508

0 1
S -0.019405 -0.008556 -1.482442
S -0.864617 2.808806 0.294133
S 0.882190 -2.815679 0.282627
P -1.412587 1.021014 -0.228562
P 1.412987 -1.030927 -0.267414
C -2.836617 1.009624 -1.394298
C -1.734585 -0.126811 1.165258
C 2.799289 -1.026194 -1.477815
C 1.778706 0.124922 1.108863
C -3.968247 0.231533 -1.147877
C -1.991625 -1.481039 0.929806
C 3.937983 -0.246621 -1.271987
C 2.028151 1.477723 0.857574
C -2.755516 1.837028 -2.517515
C -1.688620 0.386044 2.463488
C 2.682727 -1.860085 -2.593091
C 1.773645 -0.380370 2.410860
C -5.034132 0.270628 -2.054558
C -2.220722 -2.330219 2.018006
C 4.974505 -0.290860 -2.211873
C 2.291402 2.333170 1.933063
C -3.824690 1.867074 -3.420795
C -1.919206 -0.471609 3.545866
C 3.722639 -1.895255 -3.529732
C 2.038156 0.483523 3.480436
C -4.960162 1.083970 -3.190181
C -2.183044 -1.826366 3.322553
C 4.864664 -1.110735 -3.339868
C 2.294817 1.836914 3.241054
H -4.056620 -0.403999 -0.263440
H -2.014047 -1.907844 -0.078478
H 4.054293 0.393981 -0.394468
H 2.018737 1.898670 -0.153375
H -1.884578 2.471823 -2.712181
H -1.473087 1.442650 2.665257
H 1.806217 -2.496081 -2.756280
H 1.564619 -1.435756 2.625456
H -5.922512 -0.332149 -1.873386
H -2.405678 -3.389975 1.846296
H 5.868043 0.313016 -2.062517
H 2.470855 3.391876 1.749455
H -3.771964 2.505363 -4.301593
H -1.887636 -0.081771 4.561499
H 3.642101 -2.538623 -4.404712
H 2.038550 0.099609 4.498812
H -5.791121 1.110118 -3.895106
H -2.354778 -2.493830 4.167057
H 5.672781 -1.140869 -4.070714
H 2.493039 2.509244 4.075841


%chk=000240508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240508

0 1
S -0.019460 -0.009630 -1.469755
S -1.084614 3.164409 0.313976
S 1.106994 -3.169603 0.300954
P -1.592398 1.197989 -0.197406
P 1.596276 -1.206778 -0.241880
C -2.977770 1.128113 -1.454980
C -2.042857 0.116505 1.252993
C 2.938142 -1.146331 -1.545665
C 2.093326 -0.114543 1.184939
C -3.654758 -0.086678 -1.720512
C -1.927414 -1.291022 1.186355
C 3.623780 0.060203 -1.826216
C 1.978434 1.292702 1.111152
C -3.335771 2.317051 -2.130656
C -2.513735 0.751098 2.428113
C 3.254549 -2.335350 -2.241886
C 2.597696 -0.741178 2.350383
C -4.703960 -0.103157 -2.665531
C -2.306843 -2.070171 2.302162
C 4.639559 0.068152 -2.807243
C 2.391483 2.079331 2.209638
C -4.383439 2.290241 -3.077923
C -2.899401 -0.037519 3.533915
C 4.268599 -2.316951 -3.225174
C 3.016892 0.054799 3.438532
C -5.067924 1.082498 -3.346388
C -2.801316 -1.447680 3.470765
C 4.961396 -1.117456 -3.509002
C 2.918859 1.464603 3.367918
H -3.376464 -1.008203 -1.199980
H -1.510845 -1.779857 0.298709
H 3.378925 0.981548 -1.288838
H 1.537512 1.775751 0.232251
H -2.801970 3.246456 -1.899620
H -2.560470 1.844951 2.472321
H 2.716050 -3.258781 -1.998160
H 2.643762 -1.834777 2.401187
H -5.232608 -1.040161 -2.870913
H -2.194509 -3.158158 2.256986
H 5.175149 0.998629 -3.024014
H 2.279533 3.167141 2.159693
H -4.663484 3.210286 -3.602175
H -3.266407 0.449236 4.443959
H 4.516253 -3.237051 -3.765377
H 3.409691 -0.425923 4.340977
H -5.880686 1.064243 -4.081014
H -3.091957 -2.056081 4.334545
H 5.748196 -1.105641 -4.271494
H 3.235303 2.078848 4.218383


