%chk=000185369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185369

0 1
S 0.403748 -0.764077 0.003048
C -2.223596 0.101878 0.007680
C -0.817790 0.485317 0.020842
C -2.896363 -0.061552 -1.214673
C -2.906827 -0.106690 1.217296
C -0.238279 1.719656 0.046111
C 1.202479 1.680369 0.051642
C 1.709654 0.409329 0.030409
C -4.243397 -0.431862 -1.222412
C -4.253817 -0.476819 1.199703
C -4.922990 -0.639973 -0.017702
C 3.025199 -0.046169 0.027716
C 4.165051 -0.457882 0.025028
C 5.490743 -0.948918 0.021810
C 6.565200 -0.154077 0.041293
H -2.366123 0.100805 -2.152311
H -2.384697 0.020683 2.164839
H -0.782971 2.654762 0.061009
H 1.801708 2.580886 0.070852
H -4.764535 -0.558905 -2.170127
H -4.783069 -0.638860 2.137533
H -5.972360 -0.929009 -0.027579
H 5.574962 -2.043482 0.002330
H 7.577527 -0.533071 0.039144
H 6.508944 0.926263 0.061022


%chk=000185369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185369

0 1
S 0.415359 -0.909891 0.004916
C -2.281225 0.059343 0.008897
C -0.835555 0.402017 0.023141
C -2.976519 -0.081229 -1.222153
C -2.991921 -0.124027 1.225442
C -0.229811 1.654715 0.047998
C 1.204057 1.624694 0.053286
C 1.751963 0.337161 0.032329
C -4.355208 -0.389431 -1.235327
C -4.370648 -0.432197 1.210281
C -5.055877 -0.565686 -0.019599
C 3.100022 -0.059809 0.029945
C 4.290507 -0.422344 0.027036
C 5.638256 -0.883276 0.022766
C 6.751599 -0.086520 0.038714
H -2.431370 0.054943 -2.162562
H -2.458776 -0.020941 2.176885
H -0.815343 2.576911 0.061835
H 1.833573 2.517104 0.071682
H -4.880183 -0.492292 -2.191514
H -4.907660 -0.568306 2.155568
H -6.124835 -0.806232 -0.030503
H 5.767881 -1.975710 0.004962
H 7.754201 -0.525948 0.033859
H 6.675914 1.005553 0.056616


