%chk=000297003.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297003

0 1
O -3.070406 -0.589633 -0.995372
O -2.995238 -1.073237 1.120359
O 3.726911 0.210843 1.150209
O 3.645119 0.883392 -0.904499
O -2.420206 2.156559 0.616795
O -1.462788 2.774408 -1.224698
N -2.509687 -0.700666 0.075061
N 3.141881 0.444075 0.110540
N -1.581762 2.053932 -0.255055
C -0.143056 -1.444502 0.254552
C 1.252362 -1.165415 0.262421
C -1.031838 -0.381714 0.085841
C 1.677232 0.159839 0.080800
C 0.782837 1.237674 -0.127342
C -0.645107 -2.856694 0.406504
C -0.592060 0.942838 -0.101170
C 2.253660 -2.248463 0.449716
C 1.297041 2.615269 -0.323658
C -1.007747 -3.465423 -0.944579
H 0.122428 -3.491205 0.908780
H -1.518046 -2.892811 1.098394
H 2.847391 -2.421647 -0.463605
H 2.971295 -2.014038 1.260027
H 1.799977 -3.220735 0.713895
H 0.598161 3.285031 -0.860340
H 1.533878 3.105728 0.635587
H 2.216938 2.647284 -0.939968
H -1.807140 -2.909651 -1.453605
H -1.364165 -4.497506 -0.827992
H -0.148861 -3.490632 -1.626399


%chk=000297003-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297003

0 1
O -3.094112 -0.377170 -1.072158
O -3.071425 -1.099975 1.095846
O 3.776931 0.186304 1.149153
O 3.641942 0.949041 -0.998469
O -2.541370 2.106015 0.536884
O -1.408552 2.852397 -1.302589
N -2.506075 -0.621759 0.047328
N 3.122819 0.453455 0.071251
N -1.579999 2.040568 -0.319325
C -0.154862 -1.447694 0.303705
C 1.249620 -1.171411 0.274397
C -1.036244 -0.361310 0.102143
C 1.661105 0.168038 0.062050
C 0.795989 1.274485 -0.151763
C -0.670985 -2.868745 0.482583
C -0.580569 0.955320 -0.139130
C 2.254592 -2.294376 0.450245
C 1.318925 2.684747 -0.336321
C -0.944065 -3.571008 -0.877917
H 0.062423 -3.456477 1.058716
H -1.597397 -2.858403 1.079733
H 3.257996 -2.026185 0.088426
H 2.358854 -2.557111 1.519368
H 1.931580 -3.198923 -0.089351
H 0.591773 3.438010 0.001455
H 2.260881 2.839026 0.213681
H 1.519999 2.879652 -1.403889
H -1.717029 -3.037738 -1.458837
H -1.301198 -4.601160 -0.705249
H -0.032540 -3.624711 -1.500764


