%chk=000212823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212823

0 1
O 3.179721 -1.260074 0.475782
N 2.827661 1.039294 0.543562
N 4.870719 0.095010 -0.291500
C -0.844642 0.168455 -0.049556
C 0.528223 0.664254 -0.419624
C -1.903371 1.075270 0.160114
C -1.075451 -1.216674 0.098884
C -1.725645 2.567517 0.022549
C 0.008350 -2.243066 -0.110965
C 1.384976 0.844024 0.847144
C -3.177856 0.595938 0.500208
C -2.357248 -1.674620 0.441942
C -3.403392 -0.773452 0.640147
C -2.046826 3.030366 -1.398678
C -0.013083 -2.777896 -1.542831
C 3.582224 -0.127131 0.258760
H 0.470572 1.609044 -0.993484
H 1.017429 -0.057659 -1.110369
H -2.382915 3.095646 0.744732
H -0.697151 2.872829 0.299068
H -0.115381 -3.081177 0.605456
H 1.019222 -1.832432 0.122681
H 1.043622 1.722358 1.436852
H 1.278925 -0.050637 1.509828
H -3.995984 1.296229 0.653322
H -2.535990 -2.742647 0.550677
H -4.394235 -1.138383 0.904016
H -1.407897 2.533368 -2.138264
H -1.909598 4.111169 -1.506894
H -3.085065 2.797356 -1.666733
H -0.961336 -3.277930 -1.770718
H 0.795314 -3.501065 -1.701131
H 0.115342 -1.972399 -2.274782
H 3.036150 1.886407 0.016067
H 5.352951 0.963150 -0.116840
H 5.486366 -0.712041 -0.288521


%chk=000212823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212823

0 1
O 3.323873 -1.220780 0.196765
N 2.827744 1.041102 0.519496
N 5.006656 0.370094 -0.092758
C -0.877773 0.111658 -0.048893
C 0.528930 0.561065 -0.430258
C -1.909207 1.073481 0.187247
C -1.149083 -1.281220 0.139958
C -1.696637 2.569576 -0.035505
C -0.107037 -2.361692 -0.142513
C 1.418797 0.760067 0.833944
C -3.192377 0.633657 0.599406
C -2.444282 -1.683484 0.553722
C -3.464805 -0.737659 0.783958
C -1.955797 2.995543 -1.506442
C -0.121200 -2.809745 -1.630571
C 3.694417 -0.003945 0.206732
H 0.507969 1.502193 -1.008447
H 1.025051 -0.194218 -1.062292
H -2.385853 3.133407 0.621771
H -0.673783 2.875985 0.254876
H -0.324967 -3.242803 0.491017
H 0.915158 -2.032714 0.118423
H 1.024449 1.584888 1.455933
H 1.386756 -0.161096 1.440643
H -3.979002 1.377046 0.781140
H -2.646941 -2.752144 0.698511
H -4.458603 -1.064629 1.110793
H -1.277489 2.467857 -2.201568
H -1.806655 4.083603 -1.637969
H -2.990856 2.750371 -1.805171
H -1.113215 -3.205442 -1.915828
H 0.634281 -3.597008 -1.806667
H 0.107447 -1.963391 -2.304342
H 3.123814 2.010340 0.405358
H 5.362126 1.318653 0.003011
H 5.652795 -0.380216 -0.322579


