%chk=000278065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278065

0 1
S 1.845685 -2.169010 -0.000115
N -4.136594 1.098307 0.000041
C 0.638687 0.176404 -0.000016
C 0.351111 -1.233125 -0.000039
C -0.924476 -1.733672 0.000000
C -2.015558 -0.785268 0.000037
C -1.741510 0.610090 0.000019
C 2.079793 0.450489 -0.000045
C -0.394300 1.080807 0.000000
C 2.860673 -0.729888 -0.000096
C -2.870531 1.522097 0.000015
C -1.204175 -3.198314 0.000010
C -3.381944 -1.206345 0.000081
C 2.722445 1.690443 -0.000011
C 4.246511 -0.702318 -0.000123
C -4.384889 -0.264014 0.000080
C 4.122833 1.730290 -0.000037
C -2.659568 3.002388 -0.000002
C 4.876579 0.550687 -0.000095
H -0.198502 2.151491 0.000010
H -1.782848 -3.493317 0.888789
H -1.781874 -3.493465 -0.889357
H -0.296164 -3.817876 0.000582
H -3.620005 -2.267252 0.000106
H 2.145924 2.612682 0.000036
H 4.833489 -1.618813 -0.000169
H -5.446607 -0.533617 0.000059
H -3.619713 3.548100 0.000082
H -2.107099 3.329962 0.891534
H -2.107271 3.329944 -0.891655
H 4.631528 2.693666 -0.000002
H 5.964669 0.604046 -0.000116


%chk=000278065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278065

0 1
S 1.875161 -2.257516 -0.000051
N -4.168194 1.119979 0.000023
C 0.648631 0.169034 -0.000016
C 0.355092 -1.247220 -0.000006
C -0.946629 -1.758077 0.000034
C -2.029831 -0.802997 0.000030
C -1.758975 0.623470 0.000028
C 2.088730 0.446867 -0.000045
C -0.408266 1.084410 0.000011
C 2.882604 -0.740555 -0.000064
C -2.886303 1.542845 0.000038
C -1.224741 -3.248346 0.000042
C -3.406473 -1.211156 0.000000
C 2.744047 1.703005 -0.000056
C 4.290276 -0.696742 -0.000098
C -4.409735 -0.244789 -0.000003
C 4.153339 1.761206 -0.000088
C -2.672274 3.042374 0.000059
C 4.922375 0.568031 -0.000109
H -0.204194 2.159117 0.000010
H -1.807043 -3.551713 0.890738
H -1.806224 -3.551868 -0.891144
H -0.291035 -3.835478 0.000526
H -3.672948 -2.271765 -0.000032
H 2.157307 2.628640 -0.000042
H 4.887421 -1.614614 -0.000115
H -5.468143 -0.526420 -0.000024
H -3.655132 3.537617 0.000117
H -2.108577 3.375988 0.892499
H -2.108672 3.376019 -0.892430
H 4.658071 2.733327 -0.000097
H 6.016635 0.622926 -0.000135


