%chk=000220580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220580

0 1
O 4.820228 -1.283915 -1.111540
N -3.411537 0.581845 0.541813
C -4.306674 1.240425 -0.468764
C -4.098852 -0.708787 0.883504
C -5.112121 0.138990 -1.193321
C -4.986076 -1.118390 -0.313899
C -2.027291 0.370042 0.008568
C -1.076039 0.123001 1.196647
C 0.346642 0.045673 0.722714
C 1.147839 1.199305 0.696471
C 0.885152 -1.178027 0.293106
C 2.469117 1.130111 0.253695
C 2.204872 -1.243562 -0.151136
C 3.010033 -0.091145 -0.172782
C 4.414789 -0.231943 -0.659129
C 5.318654 0.965839 -0.568272
H -3.744693 1.879163 -1.172301
H -4.984549 1.910028 0.103512
H -4.720862 -0.506091 1.781551
H -3.382085 -1.501772 1.160346
H -4.713462 -0.044401 -2.204472
H -6.164587 0.437490 -1.323023
H -5.971926 -1.472774 0.027025
H -4.533783 -1.950844 -0.877095
H -1.957150 -0.464854 -0.719953
H -1.706791 1.289627 -0.529026
H -1.364451 -0.802949 1.734021
H -1.208102 0.934388 1.944903
H 0.735083 2.152243 1.023601
H 0.272440 -2.077491 0.305629
H 3.073960 2.036823 0.241866
H 2.630603 -2.193967 -0.489972
H 5.408514 1.335241 0.460836
H 4.964156 1.793166 -1.195639
H 6.333548 0.711910 -0.912785


%chk=000220580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220580

0 1
O 4.794545 -1.394892 -1.173631
N -3.493105 0.599099 0.600476
C -4.419865 1.228969 -0.384125
C -4.169024 -0.694114 0.924450
C -4.913505 0.074957 -1.316728
C -4.887282 -1.184150 -0.389683
C -2.100519 0.438640 0.106607
C -1.104431 0.234070 1.283329
C 0.328420 0.108270 0.797713
C 1.201050 1.227567 0.801849
C 0.820410 -1.124948 0.287116
C 2.520547 1.123466 0.315587
C 2.134357 -1.235130 -0.200228
C 3.005841 -0.110933 -0.193492
C 4.402910 -0.278487 -0.719060
C 5.348403 0.919931 -0.696421
H -3.920338 2.052676 -0.921758
H -5.278816 1.655287 0.170190
H -4.917846 -0.513364 1.718245
H -3.441406 -1.427172 1.312630
H -4.217795 -0.051725 -2.165989
H -5.916764 0.274488 -1.732097
H -5.906647 -1.544695 -0.164805
H -4.341806 -2.018236 -0.864813
H -1.983458 -0.404894 -0.617942
H -1.821144 1.363505 -0.432017
H -1.396408 -0.673861 1.845747
H -1.219329 1.091510 1.970190
H 0.839643 2.185042 1.196232
H 0.164070 -2.004062 0.285246
H 3.170574 2.004797 0.338020
H 2.522518 -2.181990 -0.590873
H 5.494283 1.292352 0.334692
H 4.945178 1.756599 -1.297035
H 6.321342 0.615824 -1.110923


