%chk=000249426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249426

0 1
O -2.110420 -1.421297 -0.193335
O 2.110516 1.421599 -0.193434
O -9.088630 -1.047747 0.850971
O 9.088459 1.047392 0.851883
N -2.953188 0.710042 0.062533
N 2.953170 -0.709936 0.061230
N -5.139761 1.507950 0.240915
N 5.139660 -1.508016 0.239862
N -9.328796 0.787178 -0.454617
N 9.328943 -0.787232 -0.454064
C -4.340279 0.394052 0.097646
C 4.340264 -0.394018 0.096892
C -7.074655 0.055721 0.169289
C 7.074640 -0.055843 0.169386
C -4.861395 -0.911900 0.002015
C 4.861463 0.911956 0.002000
C -6.243964 -1.070949 0.047774
C 6.244027 1.070921 0.048180
C -6.478467 1.326618 0.279936
C 6.478365 -1.326762 0.279305
C -1.906613 -0.229229 -0.079259
C 1.906658 0.229462 -0.080201
C -0.542667 0.389487 -0.075468
C 0.542703 -0.389234 -0.077161
C -8.548808 -0.144614 0.236237
C 8.548780 0.144421 0.236783
H -4.195071 -1.776667 -0.097680
H 4.195203 1.776801 -0.097452
H -6.689237 -2.070434 -0.005296
H 6.689363 2.070409 -0.004319
H -2.733438 1.712695 0.159477
H 2.733351 -1.712626 0.157648
H -7.079475 2.236715 0.415694
H 7.079292 -2.236949 0.414814
H -0.466721 1.484108 -0.078507
H 0.466749 -1.483844 -0.083637
H -8.947122 1.449120 -1.104478
H -10.331178 0.665905 -0.478955
H 8.947445 -1.448989 -1.104217
H 10.331334 -0.665969 -0.478087


%chk=000249426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249426

0 1
O -2.042640 -1.577277 0.058553
O 2.042670 1.577283 0.059361
O -9.149193 -1.299889 0.227411
O 9.149223 1.299745 0.228388
N -2.982323 0.580745 0.066698
N 2.982343 -0.580746 0.066445
N -5.130474 1.430546 0.065110
N 5.130487 -1.430562 0.064479
N -9.404065 0.946932 -0.275290
N 9.404092 -0.946796 -0.275565
C -4.362935 0.295991 0.059637
C 4.362957 -0.295998 0.059568
C -7.131953 0.025727 0.017701
C 7.131979 -0.025734 0.017865
C -4.911480 -1.016056 0.052284
C 4.911513 1.016048 0.052910
C -6.311213 -1.132844 0.034105
C 6.311247 1.132835 0.034842
C -6.480004 1.285351 0.046490
C 6.480019 -1.285368 0.045978
C -1.905801 -0.314806 0.064034
C 1.905826 0.314811 0.064206
C -0.576137 0.361492 0.066444
C 0.576160 -0.361484 0.066270
C -8.624884 -0.165657 0.001570
C 8.624911 0.165644 0.001894
H -4.247994 -1.881491 0.061208
H 4.248032 1.881483 0.062257
H -6.799946 -2.112149 0.036577
H 6.799987 2.112134 0.037842
H -2.788294 1.588114 0.075355
H 2.788308 -1.588119 0.074591
H -7.040281 2.227770 0.081373
H 7.040287 -2.227809 0.080394
H -0.511247 1.458183 0.066808
H 0.511267 -1.458175 0.066095
H -9.017889 1.849243 -0.543352
H -10.416199 0.824751 -0.272945
H 9.017919 -1.848947 -0.544169
H 10.416227 -0.824624 -0.273118


