%chk=000104521.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104521

1 1
S -0.469982 -1.455241 0.652790
F 1.060577 0.512033 1.419955
F 1.742320 -1.394368 2.005081
F 3.428749 -0.780974 0.092251
F 1.995776 -2.014999 -0.840178
F 0.533156 0.343299 -1.609130
F 2.378692 -0.066066 -2.542926
F 3.690776 1.870997 -0.961103
F 1.934891 2.167191 0.197460
F 1.947332 2.685975 -1.858466
O -1.074247 -0.611725 -0.359304
O -0.348404 -2.864561 0.489968
N -4.936579 0.498416 -0.486639
N -1.330416 -1.176011 2.084848
C -3.582251 0.110057 0.116520
C -3.608089 -0.143257 1.624033
C -2.200273 0.001370 2.253107
C -5.970314 -0.571755 -0.216389
C -5.414718 1.816431 0.080244
C -4.763432 0.644313 -1.985965
C 1.194199 -0.748013 0.956409
C 2.133682 -0.793086 -0.276154
C 1.861662 0.310722 -1.355633
C 2.363189 1.748774 -1.000998
H -3.198070 -0.796313 -0.423209
H -2.832923 0.905015 -0.137245
H -4.011163 -1.153102 1.846763
H -4.284564 0.568808 2.142176
H -1.693880 0.909512 1.848436
H -2.318853 0.183797 3.351577
H -5.629124 -1.563778 -0.570937
H -6.192581 -0.668345 0.862264
H -6.929064 -0.356943 -0.726235
H -6.392244 2.117478 -0.341959
H -5.532176 1.769153 1.179902
H -4.700567 2.634641 -0.135503
H -3.998835 1.405493 -2.238128
H -4.431461 -0.303664 -2.454022
H -5.703618 0.945106 -2.484047
H -1.506975 -1.942982 2.746287


%chk=000104521-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104521

1 1
S -0.662511 -1.573778 0.073121
F 1.502621 -0.772381 1.774589
F 1.836993 -2.730885 0.674153
F 3.657570 -1.049326 -0.390964
F 1.883712 -1.251398 -1.804049
F 0.964539 1.250901 0.030054
F 2.083074 1.288188 -1.959655
F 4.520412 1.572026 -0.681188
F 3.565554 1.204095 1.355291
F 2.985358 3.026170 0.132251
O -1.067534 -0.598892 -1.160346
O -0.947675 -3.158606 0.063837
N -5.370547 0.279433 -0.381558
N -1.539175 -0.880642 1.488487
C -3.851908 0.210890 -0.065694
C -3.427744 0.757436 1.306045
C -1.897289 0.549716 1.500554
C -6.169497 -0.581438 0.594763
C -5.875702 1.718578 -0.330866
C -5.569647 -0.267768 -1.798110
C 1.448323 -1.412235 0.530941
C 2.291381 -0.705487 -0.571020
C 2.175551 0.873134 -0.627787
C 3.344968 1.678208 0.054538
H -3.578251 -0.854355 -0.146521
H -3.341654 0.751415 -0.880888
H -3.954412 0.241366 2.129014
H -3.623914 1.842453 1.395895
H -1.348535 1.077992 0.699728
H -1.584383 0.996057 2.461027
H -5.774890 -1.608646 0.572063
H -6.080751 -0.168362 1.609200
H -7.226723 -0.579448 0.287955
H -6.926199 1.740183 -0.659303
H -5.805022 2.097175 0.698512
H -5.261868 2.338100 -1.002400
H -5.011538 0.360882 -2.508126
H -5.188499 -1.299095 -1.840906
H -6.642343 -0.252373 -2.044487
H -1.321649 -1.365888 2.367752


