%chk=000185829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185829

0 1
S 2.011191 -1.949699 0.000110
C -0.540052 -0.727924 0.000310
C 0.864611 -0.616926 0.000279
C -1.294458 0.474269 0.000229
C 1.524736 0.619353 0.000301
C 2.980867 0.486269 0.000175
C -2.749742 0.395437 0.000031
C 3.396152 -0.867096 0.000057
C -0.615953 1.726340 0.000336
C 0.762848 1.808384 0.000396
C -3.377232 -0.873328 0.000128
C -1.214714 -2.006154 0.000485
C -2.570088 -2.074122 0.000465
C 3.950854 1.496279 0.000107
C -3.566064 1.559113 -0.000326
C 4.737000 -1.232102 -0.000129
C -4.795615 -0.957958 -0.000153
C 5.300944 1.138297 -0.000055
C -4.943282 1.458484 -0.000603
C 5.691795 -0.210350 -0.000179
C -5.565308 0.188204 -0.000522
H -1.210900 2.642308 0.000402
H 1.267010 2.772800 0.000542
H -0.607046 -2.912041 0.000662
H -3.086645 -3.034104 0.000742
H 3.654786 2.542892 0.000147
H -3.089474 2.540712 -0.000387
H 5.038704 -2.277720 -0.000239
H -5.267128 -1.939854 -0.000065
H 6.064095 1.915740 -0.000075
H -5.562253 2.354401 -0.000891
H 6.751396 -0.462744 -0.000320
H -6.652434 0.126339 -0.000763


%chk=000185829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185829

0 1
S 2.024344 -2.037009 0.000218
C -0.546569 -0.722530 0.000071
C 0.875843 -0.618610 0.000101
C -1.315174 0.500225 -0.000020
C 1.556060 0.623162 0.000045
C 3.010524 0.484937 0.000090
C -2.777418 0.417678 -0.000052
C 3.432279 -0.879952 0.000179
C -0.614691 1.752207 -0.000072
C 0.779660 1.818942 -0.000041
C -3.412436 -0.879471 0.000022
C -1.220619 -1.999259 0.000132
C -2.600124 -2.073649 0.000111
C 4.001388 1.499821 0.000055
C -3.620368 1.573228 -0.000155
C 4.792098 -1.245245 0.000233
C -4.838821 -0.973677 0.000005
C 5.365418 1.148621 0.000107
C -5.017071 1.458905 -0.000171
C 5.759891 -0.216273 0.000196
C -5.636586 0.175752 -0.000086
H -1.178342 2.688760 -0.000135
H 1.281466 2.792739 -0.000083
H -0.618765 -2.915333 0.000196
H -3.103376 -3.047524 0.000157
H 3.704709 2.554766 -0.000013
H -3.179385 2.574434 -0.000231
H 5.097639 -2.296492 0.000304
H -5.300273 -1.968429 0.000066
H 6.129543 1.933241 0.000077
H -5.637187 2.362188 -0.000251
H 6.823819 -0.477027 0.000237
H -6.728875 0.094374 -0.000095


