%chk=000220561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220561

0 1
O 3.867616 -2.650644 -0.569657
O 1.791663 -2.076556 -0.475939
N -1.229834 0.466837 -0.079941
N 2.984384 -1.816080 -0.437647
C 1.115091 0.548585 -0.827783
C 0.184813 0.316317 0.380472
C 2.539706 0.677902 -0.380069
C -2.194142 0.264010 1.049136
C 3.405736 -0.420392 -0.207020
C -3.596479 0.126134 0.507314
C 3.048303 1.966625 -0.121434
C 4.745118 -0.228240 0.196297
C 4.365793 2.153761 0.286259
C -4.127732 1.119630 -0.329371
C -4.378720 -0.985819 0.849998
C 5.221489 1.052264 0.444382
C -5.431396 1.000606 -0.816145
C -5.684513 -1.098220 0.362921
C -6.212827 -0.107016 -0.469517
H 0.994970 -0.285423 -1.555552
H 0.786742 1.459822 -1.375772
H 0.379216 1.080929 1.164085
H 0.403074 -0.681413 0.826550
H -1.427311 -0.218487 -0.820913
H -1.932978 -0.604669 1.694387
H -2.139198 1.166625 1.703742
H 2.390477 2.829516 -0.242886
H 5.400397 -1.100804 0.307574
H 4.738305 3.160995 0.483116
H -3.512138 1.977700 -0.601972
H -3.974801 -1.764533 1.493666
H 6.254003 1.202501 0.758474
H -5.839883 1.772032 -1.466577
H -6.289823 -1.962002 0.632174
H -7.228721 -0.197094 -0.847951


%chk=000220561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220561

0 1
O 4.122761 -2.537710 -1.023470
O 1.922700 -2.110570 -0.641511
N -1.218957 0.168864 -0.045550
N 3.162077 -1.743170 -0.682958
C 1.109383 0.591475 -0.774168
C 0.175237 0.282398 0.426212
C 2.564251 0.712335 -0.352945
C -2.221736 0.011899 1.032327
C 3.516090 -0.348398 -0.305934
C -3.648373 0.011548 0.491993
C 3.045425 1.994509 0.027457
C 4.862303 -0.147734 0.088238
C 4.374914 2.211123 0.443115
C -4.014658 0.855998 -0.587156
C -4.638031 -0.814339 1.080861
C 5.292064 1.133382 0.474027
C -5.345235 0.877978 -1.060990
C -5.971772 -0.789802 0.612148
C -6.330120 0.057581 -0.461417
H 0.976946 -0.203206 -1.528264
H 0.777414 1.545556 -1.221792
H 0.224489 1.116456 1.154533
H 0.542354 -0.634307 0.943708
H -1.316149 -0.574598 -0.752332
H -2.064168 -0.908399 1.647429
H -2.090363 0.870004 1.724898
H 2.346949 2.838175 -0.014213
H 5.543858 -1.002323 0.082422
H 4.697718 3.216492 0.733987
H -3.240917 1.480046 -1.046890
H -4.364140 -1.481621 1.908064
H 6.327640 1.291300 0.790819
H -5.615363 1.534141 -1.896660
H -6.725917 -1.434564 1.077864
H -7.362274 0.074880 -0.829452


