%chk=000186201.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186201

0 1
N 3.448390 1.389526 0.000014
N -3.890022 -1.425984 -0.000183
C -0.261153 -0.696722 0.000027
C -0.265891 0.745247 0.000089
C 1.018619 -1.423781 0.000072
C 1.009676 1.466490 0.000109
C 2.243592 -0.720247 0.000079
C 2.235330 0.750423 0.000065
C -1.473236 1.428689 0.000104
C -1.466119 -1.380586 -0.000074
C -2.711340 0.740374 0.000032
C -2.705311 -0.684219 -0.000077
C 1.048181 -2.835467 0.000119
C 3.462078 -1.431797 0.000117
C 1.074460 2.876536 0.000147
C 2.254636 -3.525704 0.000143
C 3.468579 -2.821600 0.000135
C -3.982415 1.407888 0.000060
C 2.303790 3.521914 0.000117
C 3.475905 2.737323 0.000033
C -5.133325 0.668418 -0.000027
C -5.040678 -0.768486 -0.000159
H -1.489576 2.520429 0.000162
H -1.498345 -2.475573 -0.000149
H 0.109481 -3.393889 0.000144
H 4.405546 -0.876785 0.000142
H 0.151765 3.461144 0.000197
H 2.260113 -4.615358 0.000167
H 4.412341 -3.364906 0.000139
H -4.004529 2.497336 0.000151
H 2.368919 4.607118 0.000163
H 4.469915 3.200945 -0.000026
H -6.116366 1.132890 0.000003
H -5.960308 -1.368186 -0.000235


%chk=000186201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186201

0 1
N 3.479465 1.378058 0.000104
N -3.922904 -1.447053 -0.000065
C -0.269836 -0.705167 0.000041
C -0.270129 0.750587 0.000061
C 1.011956 -1.440237 0.000064
C 1.011665 1.478239 0.000091
C 2.249590 -0.719328 0.000082
C 2.250071 0.752931 0.000090
C -1.501370 1.435933 0.000047
C -1.505372 -1.382660 -0.000004
C -2.745945 0.753668 0.000010
C -2.746035 -0.695795 -0.000020
C 1.066376 -2.865489 0.000073
C 3.486256 -1.423369 0.000097
C 1.098341 2.900937 0.000118
C 2.291880 -3.550175 0.000090
C 3.513337 -2.825407 0.000100
C -4.017102 1.422202 -0.000004
C 2.349433 3.535856 0.000136
C 3.517754 2.729609 0.000125
C -5.185400 0.663030 -0.000047
C -5.084872 -0.771912 -0.000076
H -1.524831 2.530808 0.000063
H -1.564646 -2.473216 -0.000033
H 0.142613 -3.450248 0.000070
H 4.404723 -0.831059 0.000108
H 0.192891 3.514046 0.000126
H 2.302570 -4.645639 0.000098
H 4.470127 -3.358463 0.000113
H -4.052563 2.518092 0.000018
H 2.431854 4.626882 0.000158
H 4.514810 3.185328 0.000133
H -6.174007 1.132412 -0.000058
H -5.997999 -1.380001 -0.000112


