%chk=000219406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219406

0 1
O -5.682665 -0.450021 -0.182544
O 3.684636 2.777532 -0.227279
N 2.326428 2.567638 -0.437861
C -0.184432 0.571390 0.695695
C 0.485968 1.044615 -0.604467
C -1.634995 0.256291 0.458618
C 1.956199 1.321463 -0.381369
C 2.822464 0.141299 -0.119521
C -2.599909 1.280795 0.528946
C -2.037676 -1.050028 0.159355
C -3.943268 1.006208 0.308712
C -3.385115 -1.354367 -0.066571
C -4.323236 -0.320124 0.011535
C 3.122229 -0.749753 -1.159501
C 3.330938 -0.079891 1.168503
C 3.926697 -1.864312 -0.906127
C 4.131422 -1.198660 1.414477
C 4.428733 -2.091471 0.379471
C -6.197631 -1.766701 -0.491272
H -0.078742 1.351695 1.477798
H 0.349437 -0.315868 1.096085
H -0.035546 1.948680 -0.988458
H 0.373738 0.275215 -1.396614
H -2.288780 2.300379 0.758188
H -1.297007 -1.847554 0.099920
H -4.703444 1.782086 0.359574
H -3.677715 -2.372811 -0.295056
H 2.737428 -0.569446 -2.161758
H 3.109833 0.624756 1.969094
H 4.164230 -2.555545 -1.713107
H 4.527667 -1.372144 2.413731
H 5.054134 -2.960885 0.573724
H -5.779651 -2.127053 -1.435413
H -7.273417 -1.569759 -0.587612
H -5.998424 -2.456364 0.333790
H 3.770073 3.783014 -0.334486


%chk=000219406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219406

0 1
O -5.809969 -0.401323 -0.464853
O 3.625124 2.991128 0.252915
N 2.224904 2.643756 -0.035805
C -0.230392 0.409245 0.787184
C 0.510648 1.079826 -0.412842
C -1.698148 0.156056 0.478003
C 1.990334 1.340559 -0.131491
C 2.930409 0.192762 0.008793
C -2.638835 1.223029 0.483072
C -2.168278 -1.135861 0.145253
C -3.991949 1.008629 0.167357
C -3.525371 -1.375105 -0.177662
C -4.440111 -0.294614 -0.166986
C 2.552748 -1.081644 -0.513318
C 4.195435 0.293023 0.663740
C 3.400113 -2.201610 -0.398342
C 5.033178 -0.834925 0.790604
C 4.646683 -2.086100 0.259133
C -6.322809 -1.728253 -0.808997
H -0.126991 1.076593 1.664338
H 0.272259 -0.540497 1.045947
H 0.033305 2.049701 -0.636110
H 0.387750 0.451181 -1.315076
H -2.305338 2.234524 0.746688
H -1.465606 -1.978878 0.143967
H -4.719338 1.826264 0.176053
H -3.850344 -2.390088 -0.425666
H 1.595489 -1.198364 -1.031196
H 4.511499 1.255171 1.066542
H 3.088243 -3.163810 -0.819712
H 5.996683 -0.732935 1.302737
H 5.305026 -2.956803 0.354584
H -5.835509 -2.125948 -1.720959
H -7.396622 -1.581903 -0.997358
H -6.185144 -2.443811 0.025446
H 3.591526 3.981323 0.212215


