%chk=000299537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299537

0 1
O -4.572274 -0.735741 -0.385114
O -4.415719 2.031359 0.265081
N 0.165174 -1.117898 -0.586760
N 0.435568 1.694354 0.114373
N 2.622775 -1.104450 -0.582246
C 0.061530 -2.575628 -0.888004
C 1.417274 -0.539146 -0.436018
C -0.975726 -0.314842 -0.350454
C -0.083528 -3.393965 0.402686
C 1.479974 0.944801 -0.079786
C -0.817360 1.065517 -0.021482
C 2.916753 1.203033 -0.032142
C -0.259052 -4.884434 0.085296
C 3.565350 -0.049391 -0.340868
C -2.280609 -0.857476 -0.453343
C -1.967250 1.875536 0.189619
C -3.394693 -0.055209 -0.245396
C -3.231122 1.338067 0.081639
C 3.663411 2.341412 0.233841
C 4.955102 -0.136737 -0.376663
C -0.405588 -5.711462 1.359946
C 5.061561 2.240612 0.194385
C 5.689836 1.024411 -0.105220
C -5.820258 -0.018011 -0.192196
C -4.311208 3.440361 0.589960
H -0.796355 -2.745270 -1.575993
H 0.984794 -2.885879 -1.439714
H -0.939249 -3.027311 1.002796
H 0.813529 -3.245767 1.040065
H 0.610425 -5.250560 -0.497418
H -1.146078 -5.035278 -0.560884
H -2.435089 -1.910379 -0.696146
H -1.801769 2.926387 0.437202
H 3.171307 3.284929 0.466328
H 5.444191 -1.079837 -0.608962
H -1.277816 -5.401999 1.947226
H -0.526335 -6.776145 1.129072
H 0.474826 -5.615705 2.006927
H 5.667132 3.120723 0.399590
H 6.779207 0.979054 -0.128163
H -5.873694 0.373250 0.829572
H -6.558963 -0.809345 -0.364958
H -5.906689 0.787933 -0.929081
H -3.819753 3.983639 -0.222772
H -3.791568 3.574025 1.543527
H -5.367471 3.726059 0.673052


%chk=000299537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299537

0 1
O -4.654415 -0.707510 -0.359712
O -4.453533 2.158806 0.256496
N 0.133004 -1.095075 -0.538111
N 0.416847 1.725981 0.105385
N 2.568687 -1.133717 -0.543377
C 0.059440 -2.546006 -0.849583
C 1.385244 -0.517455 -0.404260
C -1.006201 -0.296401 -0.329564
C -0.079859 -3.418763 0.418230
C 1.473468 0.933545 -0.080830
C -0.831296 1.108292 -0.019028
C 2.904778 1.187767 -0.032726
C -0.142542 -4.922962 0.069018
C 3.523935 -0.086681 -0.319039
C -2.318377 -0.817209 -0.418854
C -1.990391 1.910716 0.173969
C -3.455440 -0.009500 -0.227131
C -3.286900 1.392243 0.075413
C 3.684330 2.335704 0.220176
C 4.927372 -0.202145 -0.351194
C -0.251813 -5.813393 1.325189
C 5.091611 2.211729 0.185923
C 5.700141 0.956626 -0.096891
C -5.981467 -0.081508 -0.206673
C -4.275055 3.581288 0.560865
H -0.777546 -2.722082 -1.548742
H 1.003353 -2.795869 -1.363914
H -0.987602 -3.130620 0.984470
H 0.789946 -3.225205 1.074325
H 0.763628 -5.202517 -0.505255
H -1.008918 -5.114279 -0.597380
H -2.506294 -1.870517 -0.636308
H -1.806756 2.962915 0.403774
H 3.206185 3.296891 0.437666
H 5.397305 -1.166494 -0.568015
H -1.164015 -5.575372 1.904038
H -0.291654 -6.884724 1.056675
H 0.617617 -5.663362 1.991781
H 5.722361 3.086394 0.378182
H 6.794186 0.886772 -0.117930
H -6.111561 0.334749 0.805164
H -6.683200 -0.912605 -0.376849
H -6.134482 0.714242 -0.953229
H -3.741965 4.101033 -0.258240
H -3.723587 3.720380 1.510463
H -5.294063 3.983495 0.658035


