%chk=000206768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206768

0 1
O -0.623836 -3.611486 1.094490
O -2.599013 -2.712371 -1.549477
N -0.975587 0.625771 0.008787
N 0.401417 0.706517 0.079839
N 2.196605 -0.988485 0.135953
N -2.772235 -1.078645 0.057396
C -1.406850 -0.716346 0.057592
C -0.255347 -1.510733 0.096466
C 0.858772 -0.588366 0.099945
C -1.764424 1.832532 0.024336
C -0.209802 -2.988614 0.141356
C 3.340452 -0.138135 0.123180
C -1.370047 2.910127 0.835989
C -2.910652 1.913411 -0.784713
C 0.350339 -3.647367 -1.079442
C -3.287830 -2.148548 -0.729061
C -2.148372 4.069101 0.846119
C -3.677703 3.080184 -0.753284
C 4.566515 -0.728232 0.508371
C 3.302180 1.202543 -0.297550
C -3.303246 4.154213 0.060852
C 5.734777 0.031045 0.466253
C 4.485710 1.941922 -0.328178
C -4.726257 -2.456198 -0.446177
C 5.702367 1.366378 0.050612
H 2.354259 -1.966132 0.388961
H -3.367673 -0.593384 0.732514
H -0.459597 2.841425 1.436623
H -3.184628 1.093810 -1.447935
H -0.445554 -3.677579 -1.853167
H 1.188857 -3.105300 -1.529944
H 0.652237 -4.684512 -0.889411
H -1.850461 4.911928 1.470705
H -4.568495 3.155211 -1.377014
H 4.607696 -1.762524 0.838279
H 2.365226 1.672704 -0.602224
H -3.906428 5.060867 0.077330
H 6.680456 -0.422169 0.762744
H 4.456045 2.981797 -0.654178
H -4.858665 -2.899511 0.553743
H -5.099571 -3.202497 -1.170019
H -5.385439 -1.581844 -0.518400
H 6.616901 1.952194 0.022637


%chk=000206768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206768

0 1
O -1.439069 -3.677100 0.450972
O -3.771213 -0.592038 -2.080429
N -1.080315 0.464436 -0.272229
N 0.337941 0.589674 -0.238772
N 2.158761 -0.979203 -0.050305
N -2.757827 -1.400159 -0.104746
C -1.469795 -0.852695 -0.183868
C -0.284931 -1.646716 -0.052772
C 0.804600 -0.685670 -0.115111
C -1.814575 1.704991 -0.130712
C -0.323953 -3.081889 0.191946
C 3.276320 -0.103847 -0.066292
C -1.343760 2.621920 0.842983
C -2.926263 2.018376 -0.940854
C 0.955953 -3.909428 0.178365
C -3.802755 -1.322546 -1.053004
C -2.012744 3.849700 1.021036
C -3.590920 3.250501 -0.746064
C 4.564017 -0.701631 0.046731
C 3.170938 1.308173 -0.192579
C -3.143579 4.167146 0.231454
C 5.724657 0.095409 0.035530
C 4.345707 2.091486 -0.201462
C -4.986497 -2.214535 -0.703137
C 5.624860 1.501846 -0.087973
H 2.391344 -1.969853 0.004848
H -2.695341 -2.314399 0.397112
H -0.461940 2.367816 1.437403
H -3.251992 1.317807 -1.714320
H 0.687291 -4.974634 0.247090
H 1.536773 -3.749807 -0.750313
H 1.594070 -3.663929 1.050753
H -1.651514 4.556550 1.775900
H -4.453104 3.495075 -1.375930
H 4.653454 -1.792263 0.143436
H 2.185873 1.767071 -0.289141
H -3.662445 5.121720 0.371676
H 6.706983 -0.381950 0.123683
H 4.254097 3.179075 -0.301886
H -4.665124 -3.194130 -0.306555
H -5.600045 -2.363684 -1.603469
H -5.607825 -1.724337 0.068947
H 6.526985 2.122374 -0.097044


