%chk=000218071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218071

0 1
O 0.220254 -1.406027 -1.938184
O 1.338112 -2.785427 1.110235
O 2.493932 -2.451162 -0.812635
N -2.778643 1.481160 0.812496
N 0.585638 0.029780 -0.081303
C -2.216267 -0.900479 0.049660
C -1.785888 0.353551 0.879757
C -1.021675 -1.893586 0.013415
C -0.436390 0.850420 0.463958
C -2.609904 -0.485865 -1.381240
C 0.307326 -1.341079 -0.523168
C -3.398827 -1.576019 0.792465
C -3.654664 0.631735 -1.364412
C -3.137675 1.855264 -0.596333
C -0.012060 2.160782 0.547593
C -2.243773 2.671268 1.555581
C -0.889652 3.243600 1.058394
C 1.677021 0.883650 -0.412005
C 1.327834 2.217183 0.006329
C -3.931439 -2.838532 0.123486
C 1.526859 -2.241577 -0.119678
C 2.919627 0.598419 -0.997074
C 2.253736 3.255009 -0.167377
C 3.807827 1.654085 -1.158255
C 3.482059 2.966676 -0.748709
C 2.416689 -3.611359 1.674158
C 3.519509 -2.715889 2.191587
H -1.731553 0.054912 1.965538
H -1.302571 -2.763054 -0.621313
H -0.852728 -2.299387 1.035506
H -2.992935 -1.360375 -1.939990
H -1.704843 -0.158191 -1.936675
H -4.218976 -0.829625 0.882859
H -3.102564 -1.807396 1.833934
H -3.913028 0.926734 -2.398545
H -4.594126 0.266866 -0.902261
H -2.283152 2.307238 -1.147308
H -3.935360 2.626934 -0.536309
H -2.145270 2.367941 2.621266
H -3.019001 3.464968 1.527534
H -0.393406 3.790693 1.884773
H -1.056929 3.993371 0.257988
H -4.216951 -2.653933 -0.919941
H -3.195219 -3.649462 0.125510
H -4.823402 -3.207545 0.643768
H 1.072889 -1.164754 -2.381547
H 3.187851 -0.411664 -1.304865
H 2.003161 4.264022 0.150873
H 4.781806 1.471037 -1.611165
H 4.212889 3.759327 -0.894983
H 1.865886 -4.140340 2.473214
H 2.760812 -4.313886 0.894809
H 4.259245 -3.281042 2.771113
H 4.055034 -2.219979 1.367340
H 3.124873 -1.919889 2.838439


%chk=000218071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218071

0 1
O 0.230728 -1.536873 -2.031554
O 1.474026 -2.458022 1.281512
O 2.253783 -2.866191 -0.875568
N -2.784456 1.437898 0.824238
N 0.503740 -0.054209 -0.144124
C -2.289101 -0.934394 -0.020249
C -1.845857 0.270820 0.866200
C -1.101291 -1.946070 -0.006531
C -0.462691 0.743759 0.496628
C -2.625806 -0.425854 -1.449583
C 0.253162 -1.436966 -0.575422
C -3.516234 -1.611855 0.672826
C -3.649271 0.730738 -1.407222
C -3.102007 1.893936 -0.557952
C 0.008429 2.038973 0.660040
C -2.249590 2.533434 1.683789
C -0.871097 3.132970 1.220127
C 1.633224 0.752828 -0.412351
C 1.343709 2.075084 0.092501
C -4.230150 -2.721162 -0.128970
C 1.435000 -2.334935 -0.080933
C 2.854994 0.451497 -1.052440
C 2.318165 3.096717 -0.044569
C 3.805395 1.488692 -1.174206
C 3.542358 2.796302 -0.675115
C 2.648654 -3.191496 1.872785
C 3.808305 -2.220792 2.100539
H -1.847686 -0.083354 1.920934
H -1.357276 -2.840309 -0.601136
H -0.936660 -2.264905 1.040206
H -2.999622 -1.263530 -2.066051
H -1.701142 -0.076677 -1.944690
H -4.242105 -0.819410 0.934394
H -3.168259 -2.035466 1.638588
H -3.847337 1.095749 -2.433112
H -4.614122 0.388798 -0.987005
H -2.208963 2.318859 -1.077674
H -3.854050 2.701649 -0.472756
H -2.134411 2.118012 2.703483
H -3.006957 3.337660 1.734963
H -0.397945 3.639313 2.085319
H -1.028859 3.919059 0.452902
H -4.711514 -2.324462 -1.040982
H -3.538973 -3.527582 -0.437761
H -5.023402 -3.184707 0.486122
H 1.090019 -1.956031 -2.319385
H 3.072891 -0.541537 -1.456133
H 2.119630 4.106525 0.332307
H 4.761003 1.283050 -1.669651
H 4.303086 3.576844 -0.789282
H 2.245530 -3.594368 2.814893
H 2.923777 -4.012029 1.187611
H 4.635864 -2.750037 2.608227
H 4.187814 -1.822474 1.144865
H 3.495546 -1.374365 2.734712


