%chk=000234099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234099

0 1
S -1.913872 2.210910 -0.000102
C 1.779241 0.429683 -0.000083
C -0.975006 -0.259616 -0.000083
C 1.356626 -0.928724 -0.000086
C -0.534961 1.110400 -0.000088
C 3.188864 0.734057 -0.000093
C -2.437251 -0.370713 -0.000083
C -0.036196 -1.260842 -0.000077
C 0.782227 1.462060 -0.000081
C -3.081656 0.890444 -0.000089
C 4.115777 -0.295776 -0.000147
C 2.340936 -1.966408 -0.000108
C 3.674236 -1.656411 -0.000145
C 3.609563 2.170498 -0.000027
C -3.214342 -1.530735 -0.000075
C -4.461691 1.016937 -0.000083
C 5.591448 -0.046284 -0.000176
C -4.610723 -1.414183 -0.000065
C -5.227924 -0.158119 -0.000070
H -0.329016 -2.309093 -0.000077
H 1.087567 2.507371 -0.000082
H 2.008930 -3.003479 -0.000093
H 4.424416 -2.446871 -0.000166
H 4.697939 2.305866 -0.000074
H 3.228517 2.694514 -0.888871
H 3.228607 2.694391 0.888929
H -2.743497 -2.511256 -0.000073
H -4.942992 1.992967 -0.000085
H 5.900223 0.523742 0.887947
H 6.176754 -0.974935 -0.000712
H 5.900070 0.524651 -0.887767
H -5.223389 -2.314802 -0.000051
H -6.314924 -0.089442 -0.000064


%chk=000234099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234099

0 1
S -1.945380 2.296500 -0.000052
C 1.795254 0.431773 -0.000110
C -1.000709 -0.253431 -0.000092
C 1.358514 -0.953374 -0.000119
C -0.553188 1.120558 -0.000080
C 3.211184 0.744247 -0.000115
C -2.462977 -0.368252 -0.000080
C -0.036335 -1.266796 -0.000112
C 0.796084 1.463323 -0.000087
C -3.117850 0.902659 -0.000058
C 4.154881 -0.302603 -0.000141
C 2.348634 -1.990682 -0.000128
C 3.701968 -1.668760 -0.000142
C 3.646042 2.200554 -0.000056
C -3.256285 -1.541819 -0.000087
C -4.521476 1.016284 -0.000044
C 5.654477 -0.042947 -0.000141
C -4.663502 -1.440981 -0.000072
C -5.292847 -0.168987 -0.000051
H -0.337499 -2.321405 -0.000119
H 1.101001 2.513333 -0.000073
H 2.022513 -3.037715 -0.000130
H 4.455052 -2.465818 -0.000161
H 4.742070 2.303390 -0.000047
H 3.263610 2.737155 -0.890234
H 3.263614 2.737066 0.890179
H -2.776594 -2.527219 -0.000104
H -5.011288 1.995676 -0.000027
H 5.975966 0.531043 0.890022
H 6.214564 -0.993857 -0.000536
H 5.975874 0.531732 -0.889885
H -5.274545 -2.350184 -0.000078
H -6.386325 -0.099666 -0.000040


