%chk=000269227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269227

0 1
O -0.378452 2.315218 -0.901007
O -0.381529 -2.322541 -0.873006
N -0.116392 -0.004950 -1.070653
N -3.046539 1.444713 0.510967
N -3.048503 -1.431503 0.528235
C 1.243718 -0.009434 -1.666871
C -0.786359 1.211726 -0.684236
C -0.787949 -1.215975 -0.669518
C -2.053315 0.721085 -0.009951
C -2.054293 -0.715539 -0.001322
C 2.296901 -0.003593 -0.585491
C 2.783267 1.213577 -0.088211
C 2.781182 -1.215315 -0.073086
C 3.764472 1.215827 0.906875
C 3.762385 -1.206862 0.921961
C -4.070853 0.714316 1.059824
C -4.071821 -0.693170 1.068259
C 4.256773 0.007148 1.410401
H 1.340350 0.884357 -2.329346
H 1.339199 -0.911328 -2.318465
H 2.390780 2.156632 -0.471468
H 2.387055 -2.162389 -0.444578
H 4.144164 2.161272 1.291447
H 4.140450 -2.148095 1.318290
H -4.893982 1.297651 1.493549
H -4.895746 -1.270133 1.508944
H 5.022637 0.011307 2.184059


%chk=000269227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269227

0 1
O -0.431075 2.353588 -0.853843
O -0.432984 -2.360255 -0.821879
N -0.135938 -0.004372 -0.973104
N -3.141114 1.464788 0.478461
N -3.142274 -1.451201 0.498391
C 1.211115 -0.009068 -1.591475
C -0.839503 1.190807 -0.637271
C -0.840474 -1.194315 -0.621093
C -2.125018 0.712302 -0.007703
C -2.125571 -0.706248 0.001989
C 2.334926 -0.003594 -0.558771
C 2.859166 1.223142 -0.078719
C 2.858675 -1.225241 -0.065392
C 3.893798 1.227954 0.883567
C 3.893328 -1.220008 0.896863
C -4.179308 0.720954 0.987964
C -4.179869 -0.699641 0.997677
C 4.413363 0.006492 1.372794
H 1.263010 0.887358 -2.233080
H 1.261914 -0.913279 -2.222148
H 2.448885 2.168549 -0.453600
H 2.447909 -2.174495 -0.429858
H 4.294446 2.180078 1.248880
H 4.293578 -2.168267 1.272520
H -5.024610 1.284140 1.394524
H -5.025607 -1.256547 1.411908
H 5.216832 0.010380 2.118001


