%chk=000278849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278849

0 1
F -5.332546 2.290037 -0.000132
F -5.366216 0.459483 -1.060034
F -5.366373 0.459410 1.059646
O -0.376062 3.077712 0.001218
N -2.711464 -0.270169 -0.000015
N 1.812697 1.504140 -0.000350
N 2.826151 -1.147550 0.000349
N -1.722887 -2.828496 -0.000347
C -1.322281 -0.418774 -0.000035
C -0.470519 0.671557 0.000107
C 0.971601 0.455745 0.000008
C 1.505042 -0.903853 0.000251
C 0.585382 -2.040434 0.000222
C -0.805506 -1.805945 -0.000071
C -1.019930 2.054906 0.000412
C -3.281063 1.012963 -0.000024
C -2.508687 2.118930 0.000171
C 1.034550 -3.384216 0.000361
C 3.165016 1.267572 -0.000289
C 3.682332 -0.073263 0.000132
C -4.802059 1.061516 -0.000126
C 0.108330 -4.413890 0.000128
C -1.271614 -4.095122 -0.000254
C 4.080901 2.377250 -0.000638
C 5.105275 -0.281430 0.000261
C 5.426344 2.138200 -0.000518
C 5.942397 0.799106 -0.000058
H -3.303097 -1.111933 -0.000274
H -2.910193 3.135660 0.000215
H 2.112086 -3.586962 0.000636
H 0.426265 -5.456124 0.000223
H -2.035027 -4.884587 -0.000520
H 3.659402 3.386340 -0.000956
H 5.475545 -1.307427 0.000623
H 6.138974 2.964307 -0.000751
H 7.024935 0.665839 0.000030


%chk=000278849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278849

0 1
F -5.362301 2.235232 -0.000019
F -5.322561 0.260504 -1.132201
F -5.322497 0.260489 1.132123
O -0.436479 3.217560 0.001184
N -2.683615 -0.266866 -0.000181
N 1.852286 1.556185 -0.000317
N 2.837823 -1.148305 0.000188
N -1.770146 -2.741804 -0.000172
C -1.308094 -0.375983 -0.000159
C -0.455168 0.745164 -0.000088
C 0.991664 0.501036 -0.000087
C 1.509419 -0.873893 0.000086
C 0.582102 -2.003779 0.000072
C -0.814859 -1.751914 -0.000101
C -1.071619 2.117225 -0.000003
C -3.298581 0.972306 -0.000085
C -2.553930 2.126008 0.000041
C 1.005341 -3.362267 0.000199
C 3.201656 1.282515 -0.000246
C 3.709214 -0.080918 0.000080
C -4.802691 0.948155 -0.000046
C 0.036491 -4.379120 0.000137
C -1.342742 -4.026329 -0.000053
C 4.128753 2.375041 -0.000488
C 5.121247 -0.312290 0.000232
C 5.501084 2.121072 -0.000350
C 5.999353 0.772835 0.000024
H -3.183069 -1.172220 -0.000193
H -3.038460 3.105000 0.000209
H 2.077688 -3.574802 0.000333
H 0.324147 -5.434410 0.000230
H -2.119707 -4.797845 -0.000118
H 3.716527 3.388373 -0.000744
H 5.475201 -1.347984 0.000496
H 6.212709 2.953781 -0.000516
H 7.081515 0.602746 0.000136


