%chk=000218437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218437

0 1
O 3.919508 0.126508 0.776970
O 3.998683 1.723458 -1.827877
O 1.717260 1.498350 2.330066
O 2.672387 -1.323618 -0.453817
N -1.697069 0.036347 -1.129439
N -0.488623 0.502888 -1.691580
N 1.790683 1.231021 -1.705100
N 0.641242 0.895573 0.397067
C -2.415745 1.124662 -0.449520
C -1.689580 -1.248490 -0.439355
C 3.148089 1.278485 0.408200
C 0.658072 0.833034 -0.924362
C 3.072634 1.429505 -1.112730
C 1.771566 1.251917 1.155286
C -2.318723 1.355661 0.930858
C -2.931300 -1.697389 0.057040
C -3.250224 1.911094 -1.259865
C -0.564440 -2.085233 -0.385666
C -3.080344 2.376786 1.503109
C -3.035793 -2.981187 0.589517
C -4.005668 2.927751 -0.670107
C -0.690840 -3.370462 0.151463
C -3.923429 3.159895 0.706952
C -1.919054 -3.824191 0.636701
C 3.570334 -1.144814 0.331013
C 4.496617 -2.107795 0.975314
H 3.783707 2.104705 0.831138
H -0.312711 0.021509 -2.589927
H 1.723174 1.326847 -2.724512
H -1.638625 0.756562 1.545387
H -3.806697 -1.049157 0.020887
H -3.306502 1.725891 -2.331743
H 0.419128 -1.759102 -0.726291
H -3.008119 2.566566 2.573831
H -3.995205 -3.328737 0.972094
H -4.659121 3.542089 -1.287564
H 0.184450 -4.018511 0.192009
H -4.513474 3.955032 1.159940
H -2.008382 -4.824693 1.053016
H 3.946929 -2.782380 1.654629
H 5.280586 -1.609990 1.573923
H 4.998515 -2.737587 0.221944


%chk=000218437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218437

0 1
O 4.263051 0.394843 0.559749
O 3.921690 1.324370 -2.281895
O 2.115310 1.652053 2.220744
O 2.865368 -1.305739 -0.187396
N -1.648694 0.025766 -0.640299
N -0.525830 0.329885 -1.415065
N 1.669378 1.053081 -1.793078
N 0.752532 0.977496 0.450932
C -2.446385 1.129791 -0.183561
C -1.813362 -1.342718 -0.239471
C 3.249295 1.385420 0.092119
C 0.653298 0.790631 -0.850500
C 3.010860 1.237259 -1.422835
C 1.978651 1.353484 1.006098
C -3.009758 1.117990 1.118048
C -3.120555 -1.855743 -0.017514
C -2.658908 2.247083 -1.030915
C -0.690643 -2.205441 -0.129010
C -3.796853 2.204695 1.550441
C -3.294728 -3.210954 0.328059
C -3.434220 3.336597 -0.580862
C -0.884355 -3.563407 0.205003
C -4.015976 3.320015 0.707654
C -2.180420 -4.076520 0.438682
C 3.922667 -0.953892 0.385114
C 4.975700 -1.848382 0.986155
H 3.769631 2.341551 0.267690
H -0.534241 0.000610 -2.385749
H 1.494095 0.977445 -2.800764
H -2.806466 0.279321 1.790072
H -3.988960 -1.198309 -0.123814
H -2.216961 2.262439 -2.032902
H 0.325907 -1.825885 -0.268446
H -4.219677 2.189999 2.561042
H -4.307312 -3.594219 0.497055
H -3.590476 4.196179 -1.242304
H -0.009979 -4.217435 0.294729
H -4.620339 4.165135 1.053436
H -2.321207 -5.130120 0.701681
H 4.868582 -1.848251 2.086105
H 5.984306 -1.472451 0.751608
H 4.849881 -2.874870 0.613060


