%chk=000234891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234891

0 1
O -4.626816 -0.246836 -0.490025
O -1.189805 -2.571518 -0.235267
O -0.268306 -1.948577 1.708041
N -1.047810 0.728477 0.285565
C -0.249797 -0.416642 -0.275902
C -2.485266 0.385009 0.472400
C -0.853937 1.969393 -0.540428
C 1.235033 -0.115058 -0.193619
C -3.224465 -0.159439 -0.763267
C -0.526259 -1.662537 0.569683
C -1.283802 3.195476 0.264183
C 1.812840 0.276159 1.022689
C 2.029348 -0.235900 -1.342789
C 3.181611 0.549407 1.086164
C 3.398121 0.037204 -1.271810
C 3.974835 0.430924 -0.059601
H -0.534561 -0.651345 -1.341279
H -3.005254 1.292345 0.856034
H -2.557685 -0.350005 1.308535
H 0.230128 2.062673 -0.785221
H -1.398275 1.931337 -1.508020
H -2.953825 -1.214311 -0.981780
H -3.060576 0.459022 -1.661623
H -2.369097 3.244665 0.402623
H -0.829841 3.186190 1.265974
H -0.967404 4.118661 -0.233923
H 1.183754 0.358780 1.913675
H 1.589466 -0.545362 -2.289080
H 3.629901 0.851500 2.031659
H 4.016588 -0.058920 -2.162577
H 5.041590 0.642232 -0.007736
H -5.008150 0.642453 -0.352319
H -1.403284 -3.423055 0.229538


%chk=000234891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234891

0 1
O -4.740776 -0.284220 -0.352221
O -0.645822 -2.776811 -0.401150
O -0.579778 -1.838953 1.722322
N -1.072383 0.728275 0.242856
C -0.273954 -0.399824 -0.305722
C -2.501452 0.413528 0.497328
C -0.827441 1.990532 -0.511921
C 1.238912 -0.131594 -0.216132
C -3.375955 0.102220 -0.748538
C -0.526424 -1.694735 0.484722
C -1.439186 3.229784 0.165074
C 1.802161 0.334143 0.998137
C 2.077955 -0.381528 -1.327007
C 3.192316 0.558318 1.091700
C 3.471328 -0.159997 -1.231560
C 4.031204 0.311588 -0.022147
H -0.517662 -0.629491 -1.369442
H -2.944059 1.270548 1.040022
H -2.560804 -0.445231 1.188017
H 0.267108 2.126160 -0.565640
H -1.188725 1.924972 -1.569118
H -2.994529 -0.778472 -1.291772
H -3.399704 0.965739 -1.446903
H -2.543484 3.239979 0.123839
H -1.129701 3.278950 1.224168
H -1.082976 4.143844 -0.343740
H 1.137744 0.519384 1.848788
H 1.643031 -0.749580 -2.264343
H 3.624057 0.919230 2.032051
H 4.115357 -0.352345 -2.096942
H 5.110815 0.484324 0.052873
H -5.153068 0.463566 0.150870
H -0.735105 -3.619902 0.122031


