%chk=000111768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000111768

1 1
S -2.520028 1.707813 0.177048
S 3.964685 -1.116188 0.967022
N -3.563241 -0.602228 0.650356
N 3.064360 1.004719 -0.193258
C -4.773150 0.270407 0.530394
C 4.541179 1.265196 -0.145278
C -4.342827 1.699763 0.219818
C 5.256573 0.044576 0.420337
C -2.351739 -0.025315 0.500147
C 2.617978 -0.138202 0.364367
C -3.789683 -2.033610 0.930910
C -1.108564 -0.643310 0.576029
C 2.224905 2.027599 -0.843981
C 1.333111 -0.661292 0.525967
C 0.118698 0.002039 0.405305
H -5.351748 0.219250 1.485361
H -5.435449 -0.137328 -0.272068
H 4.724276 2.171638 0.482195
H 4.901684 1.500783 -1.175948
H -4.735266 2.055852 -0.755215
H -4.694893 2.421342 0.986125
H 5.906369 -0.451033 -0.330858
H 5.910278 0.300527 1.280115
H -4.381516 -2.503518 0.122108
H -4.332614 -2.165808 1.886446
H -2.835015 -2.588829 1.011011
H -1.091399 -1.719879 0.789258
H 1.765120 2.702064 -0.096045
H 1.423037 1.560253 -1.449130
H 2.820969 2.653616 -1.535019
H 1.287706 -1.723977 0.814741
H 0.119705 1.077377 0.185440


%chk=000111768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111768

1 1
S -2.529635 1.828806 0.308862
S 4.023470 -1.152118 1.065873
N -3.605927 -0.581304 0.601522
N 3.091748 1.023989 -0.130554
C -4.780121 0.331082 0.695229
C 4.530674 1.345014 0.113651
C -4.394370 1.631087 -0.029019
C 5.278850 0.007158 0.232275
C -2.382488 0.022375 0.513578
C 2.649369 -0.146771 0.419682
C -3.768496 -2.029150 0.837441
C -1.141287 -0.642200 0.592257
C 2.243464 2.007124 -0.828015
C 1.339310 -0.668402 0.551885
C 0.104010 -0.004191 0.409120
H -5.018143 0.520520 1.760912
H -5.654606 -0.141586 0.216943
H 4.622702 1.936828 1.045660
H 4.919315 1.945678 -0.725726
H -4.534217 1.568992 -1.118013
H -4.907995 2.511895 0.379752
H 5.542960 -0.424308 -0.744396
H 6.164562 0.075694 0.878327
H -4.829316 -2.296213 0.718857
H -3.445659 -2.311887 1.857085
H -3.185056 -2.606662 0.100321
H -1.146950 -1.712820 0.826618
H 1.716325 2.674953 -0.120476
H 1.505410 1.488732 -1.462540
H 2.879123 2.627676 -1.479021
H 1.300540 -1.721386 0.856310
H 0.085936 1.065693 0.169299


