%chk=000114556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114556

0 1
S -0.063623 -1.913717 1.656687
S 1.686274 0.902873 1.658265
S -1.627918 1.009803 1.654202
P -0.000632 -0.000472 0.778914
C 0.691217 -3.036740 0.382480
C 2.284783 2.114756 0.382450
C -2.974594 0.920316 0.376296
C -0.359735 -3.388069 -0.666521
C 1.135133 -4.254409 1.194446
C 3.116561 1.377361 -0.662888
C 3.115953 3.109663 1.193856
C -2.750268 2.007947 -0.670161
C -4.253134 1.143670 1.185315
C 0.173779 -4.486811 -1.601669
C 1.670986 -5.345797 0.253452
C 3.803868 2.386195 -1.598962
C 3.795739 4.116833 0.251925
C -3.966077 2.097372 -1.608341
C -5.463730 1.227404 0.241292
C 0.631570 -5.720822 -0.811945
C 4.642314 3.401231 -0.809830
C -5.265651 2.316931 -0.821626
H 1.574272 -2.549189 -0.087553
H 1.422307 2.634939 -0.090800
H -2.992986 -0.087350 -0.095608
H -0.642760 -2.501449 -1.264437
H -1.293872 -3.736009 -0.180367
H 0.292728 -4.663572 1.789200
H 1.916344 -3.971898 1.927941
H 2.491287 0.687751 -1.260525
H 3.883593 0.743217 -0.173457
H 3.889939 2.585827 1.791632
H 2.479269 3.647010 1.924615
H -1.839421 1.810512 -1.266045
H -2.585477 2.989970 -0.181802
H -4.187530 2.076700 1.781927
H -4.401270 0.324594 1.916949
H 1.015222 -4.092070 -2.202757
H -0.612058 -4.772125 -2.325732
H 1.949119 -6.239872 0.842381
H 2.602305 -4.998803 -0.233806
H 3.042866 2.916386 -2.203055
H 4.445270 1.846264 -2.320272
H 4.429935 4.805907 0.840600
H 3.030942 4.749015 -0.238596
H -4.043671 1.172399 -2.211301
H -3.818078 2.921836 -2.330536
H -6.378562 1.432815 0.828195
H -5.627929 0.248296 -0.248165
H 1.052982 -6.475546 -1.501507
H -0.241895 -6.200040 -0.328760
H 5.087080 4.141674 -1.500205
H 5.492754 2.885220 -0.323473
H -6.128151 2.330870 -1.513429
H -5.244871 3.312102 -0.336591


%chk=000114556-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114556

0 1
S -0.493941 -2.024521 1.600750
S 1.886043 0.522188 1.579714
S -1.514618 1.303244 1.656569
P -0.061415 -0.053122 0.473310
C 0.585783 -3.209673 0.537830
C 2.409375 1.992227 0.455207
C -3.055003 1.128221 0.517771
C -0.009182 -3.424018 -0.867016
C 0.704626 -4.536090 1.320166
C 2.984701 1.505400 -0.888524
C 3.432434 2.834283 1.248439
C -2.871482 1.887907 -0.809849
C -4.270996 1.649685 1.314455
C 0.837775 -4.446921 -1.667901
C 1.545372 -5.562533 0.516178
C 3.474059 2.704879 -1.741285
C 3.924672 4.030620 0.392352
C -4.157304 1.801573 -1.672447
C -5.556227 1.569103 0.449243
C 0.967996 -5.785185 -0.901991
C 4.502369 3.560895 -0.963941
C -5.388784 2.321164 -0.892788
H 1.579934 -2.728466 0.469396
H 1.489858 2.586314 0.291424
H -3.171848 0.043721 0.331915
H -0.066899 -2.460849 -1.409414
H -1.046266 -3.800336 -0.760463
H -0.310407 -4.947164 1.495741
H 1.161274 -4.352166 2.310159
H 2.223477 0.921747 -1.440856
H 3.833826 0.822693 -0.685002
H 4.297290 2.195235 1.520456
H 2.978605 3.191878 2.190925
H -2.004898 1.481249 -1.365565
H -2.644762 2.948714 -0.582885
H -4.088682 2.703701 1.607611
H -4.392957 1.065881 2.245355
H 1.849315 -4.027487 -1.848102
H 0.378480 -4.613334 -2.661414
H 1.587400 -6.519300 1.071473
H 2.588428 -5.193424 0.433160
H 2.606068 3.337977 -2.019815
H 3.915183 2.333488 -2.686393
H 4.684465 4.602024 0.959581
H 3.075204 4.720346 0.208489
H -4.330906 0.746973 -1.971184
H -4.018143 2.379821 -2.606200
H -6.410268 1.981941 1.019921
H -5.791189 0.504257 0.244964
H 1.608200 -6.489395 -1.467797
H -0.033570 -6.255711 -0.818915
H 4.809258 4.434892 -1.570515
H 5.416358 2.957904 -0.783003
H -6.304201 2.213572 -1.506151
H -5.261383 3.404879 -0.690839


