%chk=000249366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249366

0 1
S 0.992881 -0.715954 0.706739
S -0.458913 -1.270114 -0.615956
S 1.417594 2.020461 -0.734612
S -1.894518 1.372243 -0.954678
S -0.428005 2.380350 0.035824
C 2.150676 0.473262 -0.057177
C -1.985339 -0.312686 -0.252619
C 2.869207 -0.148597 -1.246248
C 3.073768 0.868285 1.092489
C -2.272713 -0.294722 1.236332
C -3.056219 -1.023200 -1.080952
C 3.810576 -1.284181 -0.814264
C 4.026145 -0.269796 1.493182
C -3.687666 0.224770 1.537560
C -4.466603 -0.503943 -0.755915
C 4.782864 -0.820685 0.277710
C -4.749041 -0.554677 0.750929
H 3.467429 0.622178 -1.782205
H 2.144856 -0.525786 -1.999303
H 2.496780 1.209407 1.977715
H 3.682944 1.750285 0.791281
H -1.528400 0.315918 1.790879
H -2.172900 -1.322063 1.651845
H -3.026459 -2.116947 -0.872258
H -2.863120 -0.926136 -2.170513
H 4.373401 -1.648973 -1.694304
H 3.221331 -2.150357 -0.451850
H 3.465961 -1.087100 1.989177
H 4.744013 0.102620 2.248922
H -3.756761 1.304371 1.296842
H -3.884804 0.144470 2.623360
H -5.214012 -1.110573 -1.302389
H -4.591058 0.532714 -1.127474
H 5.429613 -1.663041 0.587742
H 5.462376 -0.045841 -0.126308
H -4.775688 -1.606699 1.094465
H -5.752991 -0.139260 0.959433


%chk=000249366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249366

0 1
S 0.987234 -0.760913 0.646767
S -0.533169 -1.179691 -0.969465
S 1.434997 1.946500 -1.041841
S -2.108868 1.585086 -0.948098
S -0.368662 2.491242 0.189715
C 2.239877 0.431921 -0.155804
C -2.115238 -0.240252 -0.368546
C 3.059264 -0.254149 -1.275045
C 3.134056 0.919583 1.013097
C -2.304055 -0.366727 1.151682
C -3.268931 -0.918566 -1.161912
C 3.993411 -1.356623 -0.715328
C 4.065231 -0.195251 1.556461
C -3.700831 0.120523 1.607530
C -4.665126 -0.434975 -0.685971
C 4.901652 -0.822532 0.416335
C -4.830958 -0.605728 0.841416
H 3.677071 0.520793 -1.777295
H 2.369564 -0.666015 -2.034659
H 2.502673 1.343504 1.816471
H 3.752681 1.749099 0.617460
H -1.501850 0.187974 1.672772
H -2.183595 -1.437905 1.413543
H -3.183963 -2.010626 -0.989856
H -3.144999 -0.744453 -2.247587
H 4.605426 -1.759270 -1.544862
H 3.373662 -2.189087 -0.329848
H 3.463927 -0.983221 2.050970
H 4.727647 0.237664 2.330159
H -3.782377 1.212096 1.442707
H -3.798941 -0.053549 2.696015
H -5.438653 -1.011542 -1.228431
H -4.805228 0.629349 -0.957561
H 5.530810 -1.641987 0.813070
H 5.592545 -0.056400 0.006017
H -4.811188 -1.686698 1.093755
H -5.817890 -0.219172 1.159567


