%chk=000203199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203199

0 1
O -2.031596 -1.304948 0.333891
O 3.293874 2.311955 -0.714472
O 4.808312 -1.532061 0.169600
O 5.296196 0.611944 -0.366592
N -6.011331 0.166541 -0.040488
N -1.152634 0.764573 -0.191482
C -4.702740 -0.530409 0.172050
C -3.585339 0.511148 -0.039125
C -2.227168 -0.140950 0.062964
C 0.234574 0.463413 -0.165696
C -6.534462 0.731500 1.238663
C -7.014747 -0.754345 -0.651444
C 1.120564 1.514619 -0.450135
C 0.724994 -0.833281 0.133192
C 3.010771 -0.034278 -0.135332
C 2.501266 1.257863 -0.432765
C 2.086807 -1.066027 0.145154
C 4.447523 -0.243983 -0.131249
C 6.237468 -1.809058 0.190266
H -4.573508 -1.355443 -0.563684
H -4.599291 -1.000190 1.173900
H -3.687833 1.330760 0.702400
H -3.730891 0.996199 -1.030365
H -1.388241 1.735401 -0.423810
H -6.790463 -0.015348 2.004862
H -7.437900 1.324696 1.021102
H -5.790217 1.421820 1.664790
H -6.644409 -1.088520 -1.634416
H -7.947755 -0.196334 -0.834228
H -7.257964 -1.642174 -0.049654
H 0.784493 2.521165 -0.684495
H 0.023073 -1.645279 0.352495
H 2.475736 -2.064224 0.374628
H 4.303136 2.076435 -0.690541
H 6.719107 -1.191486 0.955074
H 6.664743 -1.606544 -0.797065
H 6.263952 -2.874451 0.441805


%chk=000203199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203199

0 1
O -2.127927 -1.524156 -0.535162
O 3.250190 2.353989 0.330959
O 4.912303 -1.530540 -0.137672
O 5.272646 0.740572 0.209705
N -6.099112 0.004694 -0.113360
N -1.196828 0.601570 -0.162274
C -4.739795 -0.495564 0.193514
C -3.639446 0.409256 -0.399836
C -2.269217 -0.278667 -0.367216
C 0.195263 0.328956 -0.129369
C -6.437842 1.252969 0.600658
C -7.127141 -1.037579 0.095676
C 1.058771 1.430956 0.077672
C 0.728895 -0.987597 -0.292932
C 3.006318 -0.074885 -0.035753
C 2.455512 1.245151 0.126396
C 2.116400 -1.164594 -0.243555
C 4.460037 -0.233057 0.023359
C 6.382841 -1.716238 -0.080957
H -4.621717 -1.495767 -0.258928
H -4.572500 -0.614513 1.295870
H -3.600105 1.388719 0.114086
H -3.907290 0.604309 -1.457539
H -1.451438 1.583380 -0.028197
H -6.416848 1.140913 1.715685
H -7.451988 1.579190 0.309417
H -5.738042 2.060790 0.324282
H -6.885785 -1.924923 -0.515434
H -8.111916 -0.656261 -0.228948
H -7.219554 -1.365448 1.162398
H 0.673070 2.448544 0.203763
H 0.049875 -1.825358 -0.450968
H 2.543404 -2.164179 -0.365711
H 4.224310 2.042445 0.338889
H 6.769941 -1.391611 0.899083
H 6.871630 -1.130341 -0.876825
H 6.531185 -2.794426 -0.230978


