%chk=000298421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298421

0 1
O 3.467611 2.103714 -0.525483
O -5.601929 0.262875 -0.756443
O -5.172578 -1.089893 0.874819
N 1.735754 -0.998031 0.214480
N -4.838463 -0.270916 0.033020
C 4.200420 -0.183209 -0.129627
C 4.014366 -0.751133 1.292779
C 3.835533 -1.262454 -1.170840
C 2.547830 -1.215078 1.465752
C 2.381557 -1.736860 -0.928834
C 3.186242 0.956423 -0.287003
C 1.775706 0.433041 -0.104775
C 0.696001 1.211841 -0.257866
C -0.711520 0.799139 -0.164979
C -1.641807 1.395209 -1.041672
C -1.151108 -0.146708 0.777434
C -2.987987 1.046242 -0.983812
C -2.498171 -0.498727 0.846583
C -3.410236 0.100321 -0.035278
H 5.236709 0.185688 -0.281858
H 4.277134 0.010390 2.049085
H 4.712972 -1.591252 1.455191
H 4.540721 -2.109231 -1.095188
H 3.952089 -0.863433 -2.194611
H 2.497185 -2.293709 1.718614
H 2.055078 -0.669958 2.296848
H 1.755625 -1.585961 -1.832706
H 2.346639 -2.820709 -0.697490
H 0.851430 2.277027 -0.498871
H -1.306859 2.129397 -1.775629
H -0.429877 -0.621105 1.447778
H -3.718740 1.498497 -1.663228
H -2.850329 -1.236335 1.576011


%chk=000298421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298421

0 1
O 3.383347 2.022868 -1.008694
O -5.795737 0.806599 -0.207952
O -5.300906 -1.268665 0.602439
N 1.821797 -1.049241 0.286082
N -4.955991 -0.116070 0.130152
C 4.233434 -0.145025 -0.158388
C 4.060829 -0.491127 1.353873
C 3.984279 -1.437736 -0.996824
C 2.599342 -1.023334 1.577945
C 2.529831 -1.952326 -0.692977
C 3.154309 0.872221 -0.536042
C 1.785465 0.307651 -0.265994
C 0.654329 1.037941 -0.526697
C -0.757415 0.693391 -0.340951
C -1.736320 1.670541 -0.698879
C -1.201644 -0.563031 0.177423
C -3.109725 1.417394 -0.549284
C -2.571570 -0.829223 0.331467
C -3.510041 0.164311 -0.033448
H 5.229947 0.279292 -0.361814
H 4.257702 0.401429 1.973776
H 4.810345 -1.256250 1.630293
H 4.741217 -2.194524 -0.717972
H 4.112804 -1.223979 -2.072714
H 2.601864 -2.052863 1.977824
H 2.046942 -0.389651 2.291926
H 1.920977 -1.999388 -1.611481
H 2.544510 -2.963921 -0.249863
H 0.858819 2.038337 -0.938057
H -1.406621 2.636858 -1.097462
H -0.439337 -1.300422 0.447105
H -3.868643 2.156320 -0.818423
H -2.931139 -1.783273 0.725813


