%chk=000206328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206328

0 1
S -0.398893 2.087881 1.166888
F -6.438429 0.089108 -0.798896
F 5.707309 0.451348 -0.722752
F 4.377744 -0.434785 -2.101944
F 4.217036 1.627173 -1.648584
N -0.265664 -0.398281 0.366280
N -2.065182 -1.755354 -0.465576
C 1.150653 -0.285083 0.704701
C -2.487578 0.574282 0.212111
C -0.793214 -1.626068 -0.152749
C -1.091878 0.725867 0.562959
C -2.950076 -0.672393 -0.298933
C 2.068689 0.034125 -0.304474
C 3.430102 0.102586 0.024063
C 1.563321 -0.514473 2.027413
C -3.405259 1.644608 0.366194
C 0.147497 -2.765699 -0.329301
C -4.306366 -0.849862 -0.649264
C 3.859117 -0.125317 1.336976
C 2.922372 -0.429713 2.332118
C -4.737065 1.482191 0.025884
C -5.155283 0.231552 -0.475949
C 4.411031 0.430491 -1.071614
H 1.721843 0.241697 -1.319950
H 0.831029 -0.733614 2.806739
H -3.048915 2.605547 0.758468
H 0.937826 -2.539521 -1.064060
H -0.382157 -3.665083 -0.699362
H 0.640220 -3.049782 0.614112
H -4.644924 -1.812010 -1.039890
H 4.916538 -0.063613 1.603540
H 3.258524 -0.593782 3.357686
H -5.449066 2.299974 0.140965


%chk=000206328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206328

0 1
S -0.387204 2.233173 1.166560
F -6.536197 0.066167 -0.788263
F 5.612141 1.065033 -0.542456
F 4.880829 -0.690431 -1.772687
F 3.920388 1.343058 -2.034551
N -0.273124 -0.376513 0.355137
N -2.077242 -1.751057 -0.453554
C 1.146966 -0.298798 0.684132
C -2.485822 0.610769 0.212315
C -0.800311 -1.596510 -0.143105
C -1.072139 0.784288 0.560897
C -2.943675 -0.658442 -0.283922
C 2.069069 0.074276 -0.311475
C 3.442370 0.124021 0.013429
C 1.576120 -0.616304 1.990701
C -3.418779 1.676728 0.357048
C 0.139932 -2.762725 -0.323575
C -4.311135 -0.842345 -0.621565
C 3.890485 -0.190284 1.317674
C 2.950761 -0.557786 2.304359
C -4.768752 1.501300 0.024989
C -5.181360 0.235921 -0.458521
C 4.440752 0.464499 -1.057020
H 1.719638 0.346813 -1.311709
H 0.837496 -0.881246 2.753809
H -3.048765 2.634994 0.734977
H 0.950476 -2.532421 -1.037580
H -0.447733 -3.608398 -0.707341
H 0.620223 -3.055686 0.626931
H -4.651989 -1.809481 -0.997661
H 4.956378 -0.135486 1.558002
H 3.289413 -0.792002 3.318062
H -5.498306 2.308873 0.129764


