%chk=000239166.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239166

0 1
O 3.943078 -0.197794 0.002521
O 2.588037 1.651648 -0.003094
O -6.847143 -0.446100 -0.003730
O -6.279694 1.640792 -0.009938
N 1.750026 -0.578276 0.002237
N 0.443334 -0.200203 0.000489
N -6.016641 0.449191 -0.006070
C 6.283694 -0.315402 0.003905
C 7.631554 0.417219 0.006425
C 5.130549 0.678831 0.000911
C 8.798416 -0.566142 0.009681
C -1.901629 -0.678061 0.000031
C -4.591049 0.059883 -0.003956
C -2.905771 -1.667182 0.002577
C -2.259543 0.682616 -0.004528
C -4.249366 -1.302098 0.000601
C -3.601883 1.055691 -0.006528
C 2.725764 0.457532 0.000109
C -0.490574 -1.114959 0.002265
H 6.203480 -0.984233 0.885029
H 6.207323 -0.985237 -0.876752
H 7.701047 1.081335 0.891324
H 7.704973 1.080167 -0.879016
H 5.082509 1.310754 0.903902
H 5.083383 1.306305 -0.905213
H 8.782126 -1.213817 0.894155
H 8.784764 -1.216598 -0.872795
H 9.759631 -0.038112 0.010263
H -2.637856 -2.723704 0.006119
H -1.478701 1.451655 -0.006488
H -5.040240 -2.060605 0.002540
H -3.892108 2.112831 -0.010072
H -0.332524 -2.203435 0.005047
H 2.063833 -1.558293 0.004949


%chk=000239166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239166

0 1
O 3.943970 -0.258714 0.005148
O 2.623733 1.699103 -0.002148
O -6.980953 -0.569075 -0.005216
O -6.432011 1.646545 -0.011619
N 1.708850 -0.495772 0.003589
N 0.401162 -0.090513 0.000758
N -6.116548 0.393022 -0.007337
C 6.373132 -0.375563 0.006042
C 7.715270 0.396161 0.005083
C 5.179834 0.578770 0.003756
C 8.934858 -0.550173 0.006998
C -1.951207 -0.637354 -0.000177
C -4.679383 0.037441 -0.004825
C -2.946971 -1.655251 0.001914
C -2.353632 0.731909 -0.004720
C -4.313831 -1.326413 -0.000378
C -3.713878 1.073325 -0.007059
C 2.739430 0.459469 0.001952
C -0.536064 -1.018709 0.002485
H 6.318701 -1.029666 0.897415
H 6.319391 -1.033079 -0.882853
H 7.760650 1.060339 0.891722
H 7.761118 1.057316 -0.883793
H 5.161418 1.228444 0.898383
H 5.161892 1.224829 -0.893491
H 8.930746 -1.201017 0.901118
H 8.931092 -1.204129 -0.884848
H 9.882739 0.017323 0.006197
H -2.644708 -2.709087 0.005399
H -1.579187 1.504538 -0.006303
H -5.094177 -2.091457 0.001194
H -4.046953 2.114305 -0.010556
H -0.303533 -2.102188 0.006136
H 1.987851 -1.488482 0.006937


