%chk=000237749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237749

0 1
S 1.666465 -3.778192 -0.839123
S 0.318366 -2.679661 1.542132
C 1.850294 0.079705 -0.709850
C 1.960338 2.401781 0.520297
C 1.666889 0.879132 0.597002
C -2.105370 0.382171 -1.517345
C -2.955188 1.270412 0.805696
C -1.794753 1.145746 -0.215661
C 0.979106 -1.169258 -0.648144
C -0.802850 -0.184258 -2.138893
C -0.198829 -1.258832 -1.289440
C 1.487410 -2.286165 0.194879
C 3.311380 -0.272126 -1.006030
C 1.179886 3.059620 -0.632965
C 1.503448 3.036109 1.853976
C 3.466007 2.667819 0.340560
C -2.804279 1.268279 -2.557068
C -2.378456 1.870927 2.109132
C -3.551860 -0.113785 1.121336
C -4.061566 2.206711 0.286061
C 0.982947 -5.007754 0.322358
C -0.172896 -4.367996 1.048560
H 1.480626 0.715363 -1.564346
H 2.282443 0.432535 1.398115
H 0.606921 0.751407 0.926335
H -2.780575 -0.477974 -1.278668
H -0.944559 0.636098 0.300351
H -1.405214 2.157328 -0.459821
H -1.021845 -0.601498 -3.143553
H -0.083104 0.645315 -2.314775
H -0.812233 -2.161106 -1.215747
H 2.470975 -2.047957 0.670862
H 3.395547 -0.891881 -1.905805
H 3.902905 0.641736 -1.169403
H 3.785533 -0.818081 -0.183026
H 1.506011 2.676949 -1.605900
H 1.320418 4.144195 -0.642866
H 0.098652 2.866438 -0.548328
H 1.709296 4.110585 1.873221
H 0.427997 2.906861 2.013311
H 2.019535 2.590337 2.709449
H 3.678373 3.738531 0.271097
H 4.045746 2.270167 1.179019
H 3.847615 2.192860 -0.574462
H -3.752395 1.660488 -2.157799
H -2.190414 2.129203 -2.839337
H -3.037816 0.712310 -3.470057
H -3.160918 2.005267 2.862279
H -1.615892 1.219397 2.547708
H -1.922356 2.849498 1.934054
H -2.781714 -0.803204 1.485764
H -4.328858 -0.050975 1.888120
H -4.000566 -0.567095 0.230625
H -3.687299 3.223782 0.136532
H -4.900134 2.262724 0.985919
H -4.456104 1.858218 -0.679016
H 0.671523 -5.887807 -0.274701
H 1.776436 -5.350299 1.015170
H -0.442898 -4.914429 1.974105
H -1.085046 -4.316269 0.422305


%chk=000237749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237749

0 1
S 1.021952 -3.750613 -0.548143
S 0.238341 -2.083189 1.951782
C 2.030852 0.160209 -0.749252
C 2.682261 2.242733 0.781980
C 2.524095 0.691198 0.641738
C -2.262722 0.635348 -1.849248
C -3.553624 1.034622 0.460684
C -2.314079 1.322895 -0.451429
C 0.935506 -0.904101 -0.617780
C -0.808596 0.182328 -2.202397
C -0.267687 -0.869875 -1.261613
C 1.273239 -2.070780 0.299611
C 3.208633 -0.390479 -1.603874
C 1.299321 2.941225 0.679931
C 3.280902 2.530176 2.186553
C 3.636247 2.820854 -0.296707
C -2.796586 1.550984 -2.977952
C -3.391516 1.884140 1.751476
C -3.598514 -0.466536 0.857715
C -4.886542 1.423490 -0.231746
C 0.788576 -4.680592 1.077090
C -0.252698 -3.914794 1.900978
H 1.598208 1.012277 -1.304510
H 3.501295 0.223465 0.884014
H 1.820578 0.369256 1.436629
H -2.888522 -0.281363 -1.820025
H -1.419095 1.016773 0.127216
H -2.233820 2.422186 -0.594324
H -0.824448 -0.231106 -3.234608
H -0.153243 1.074419 -2.236984
H -0.950674 -1.714455 -1.075650
H 2.319193 -2.024889 0.636386
H 2.864254 -0.678793 -2.613695
H 4.006181 0.366361 -1.710118
H 3.658160 -1.286804 -1.135362
H 0.819439 2.771007 -0.301816
H 1.406980 4.034401 0.813430
H 0.608766 2.568149 1.460002
H 3.384934 3.618627 2.356163
H 2.633250 2.122007 2.985555
H 4.282822 2.072498 2.293902
H 3.769204 3.909460 -0.148698
H 4.634960 2.347121 -0.242398
H 3.240428 2.669881 -1.317964
H -3.823074 1.899148 -2.771669
H -2.154731 2.447454 -3.083526
H -2.803834 1.025498 -3.952257
H -4.231158 1.706339 2.450145
H -2.452041 1.628727 2.277964
H -3.367354 2.965470 1.515789
H -2.650453 -0.780757 1.333705
H -4.424510 -0.652147 1.571059
H -3.768114 -1.117107 -0.021134
H -4.886100 2.488644 -0.532930
H -5.738765 1.266230 0.457020
H -5.070087 0.810607 -1.133599
H 0.442373 -5.695631 0.815219
H 1.755736 -4.741777 1.602696
H -0.276164 -4.264985 2.947468
H -1.254834 -3.996033 1.451710


