%chk=000213994.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213994

0 1
O 3.457308 0.262429 -1.397037
N -2.959042 0.763228 0.205023
N 2.263941 0.135245 0.543026
C -0.107678 0.204865 -0.262678
C -1.217514 -0.675417 -0.892247
C 1.163412 -0.664401 -0.059794
C -1.494585 -1.933830 -0.048942
C -0.617392 0.863601 1.029368
C -2.507240 0.153569 -1.088722
C 0.889308 -1.904967 0.812779
C -0.219664 -2.753776 0.178355
C -1.901617 1.666930 0.766760
C -4.228348 1.524527 -0.003322
C 3.359531 0.553725 -0.216457
C 4.383088 1.364940 0.531845
H 0.152201 1.014748 -0.988946
H -0.870848 -1.000271 -1.904857
H 1.513420 -1.005018 -1.077619
H -2.261790 -2.556712 -0.543780
H -1.937853 -1.632297 0.922736
H 0.148963 1.535076 1.454403
H -0.821765 0.085252 1.792105
H -2.338434 0.910155 -1.885088
H -3.321986 -0.512019 -1.448063
H 0.595238 -1.606650 1.836338
H 1.813610 -2.503599 0.918966
H -0.443015 -3.621054 0.828204
H 0.134279 -3.178348 -0.781433
H -2.283916 2.076780 1.726757
H -1.679622 2.535345 0.110009
H 2.164145 0.394563 1.516195
H -4.159163 2.362653 -0.711758
H -4.573215 1.917140 0.966553
H -5.006368 0.831359 -0.361457
H 5.213451 1.627732 -0.144585
H 3.971244 2.306557 0.914409
H 4.818817 0.814042 1.374354


%chk=000213994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213994

0 1
O 3.052103 0.864373 -1.478410
N -2.906702 0.812947 0.180573
N 2.314607 0.007714 0.552585
C -0.074315 0.143746 -0.247701
C -1.217925 -0.704397 -0.882529
C 1.186438 -0.748054 -0.032407
C -1.526986 -1.974090 -0.051010
C -0.569645 0.859177 1.032975
C -2.468895 0.180762 -1.087750
C 0.885093 -2.002985 0.816507
C -0.259657 -2.829734 0.182344
C -1.841765 1.679504 0.739270
C -4.188888 1.526139 0.031689
C 3.176677 0.769745 -0.217254
C 4.293370 1.482265 0.544801
H 0.211890 0.929262 -0.978278
H -0.877212 -1.031456 -1.889180
H 1.523766 -1.069347 -1.038344
H -2.291217 -2.577860 -0.579771
H -1.976939 -1.676865 0.914717
H 0.219354 1.535873 1.414628
H -0.804397 0.131112 1.832018
H -2.238489 0.960033 -1.863987
H -3.305108 -0.432841 -1.475695
H 0.597702 -1.707306 1.847286
H 1.801848 -2.618444 0.897772
H -0.497322 -3.697447 0.827508
H 0.090805 -3.240238 -0.787441
H -2.220973 2.142276 1.670279
H -1.586159 2.514851 0.031697
H 2.444401 -0.025913 1.565136
H -4.141803 2.375345 -0.697816
H -4.504796 1.934309 1.008928
H -4.968440 0.823688 -0.314588
H 5.267350 1.158105 0.139292
H 4.213851 2.569351 0.370926
H 4.279280 1.292502 1.632631


