%chk=000198957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198957

0 1
Cl 6.372038 1.650698 -0.130587
F -4.865277 -1.176628 -0.278849
F -4.449183 0.454233 0.994680
F -4.293693 0.674422 -1.114803
O -0.940881 2.647128 0.262101
O -3.051270 2.158840 0.206677
N 1.511822 -1.728964 0.107788
N -1.871753 1.863714 0.198782
C 0.181551 -1.305638 0.062008
C -2.549567 -0.559542 -0.042752
C -1.533301 0.402660 0.098766
C -0.189160 0.057906 0.159227
C -0.834405 -2.287271 -0.063586
C -2.171319 -1.910723 -0.115417
C 2.659824 -0.870952 0.054321
C -3.998940 -0.161210 -0.108023
C 3.738317 -1.153992 0.916304
C 2.737565 0.184510 -0.872515
C 4.891067 -0.371595 0.854920
C 3.889043 0.970900 -0.924108
C 4.950771 0.683298 -0.061430
H 0.566216 0.841069 0.303081
H -0.573554 -3.343377 -0.128101
H -2.932238 -2.691905 -0.217412
H 1.695804 -2.723111 0.242444
H 3.676723 -1.970108 1.635115
H 1.913316 0.385217 -1.558712
H 5.734138 -0.576429 1.517529
H 3.960447 1.798250 -1.633651


%chk=000198957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198957

0 1
Cl 6.645918 1.524493 -0.298492
F -4.760682 -1.399518 -0.783471
F -4.812697 0.044128 0.942610
F -4.353967 0.791479 -1.159624
O -1.054895 2.738405 -0.277328
O -3.026303 2.252919 0.763925
N 1.493478 -1.617294 0.267213
N -1.931591 1.911773 0.185013
C 0.157167 -1.228537 0.151302
C -2.635019 -0.534205 -0.042886
C -1.620092 0.452820 0.079614
C -0.257391 0.132038 0.166505
C -0.851586 -2.232849 0.060006
C -2.205452 -1.885118 -0.040766
C 2.671266 -0.828328 0.133319
C -4.103877 -0.255249 -0.243177
C 3.821477 -1.212103 0.874115
C 2.757576 0.275999 -0.756618
C 5.034330 -0.507396 0.738698
C 3.964336 0.995629 -0.881462
C 5.088719 0.598026 -0.132774
H 0.457577 0.947656 0.285637
H -0.566840 -3.291098 0.049196
H -2.953381 -2.674509 -0.149650
H 1.649334 -2.600177 0.499523
H 3.766212 -2.057278 1.570212
H 1.906621 0.560787 -1.381284
H 5.916363 -0.806092 1.311949
H 4.027502 1.845001 -1.567507


