%chk=000281052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281052

0 1
O 5.042105 1.646086 -1.205549
O 5.790585 0.144617 0.157576
N -1.915933 0.823774 -0.094966
N -0.419539 -1.057363 0.517524
N -1.916487 -2.344520 1.496853
N -0.714645 -2.035860 1.461357
N 4.881953 0.718168 -0.425165
C -1.690632 -0.637013 -0.227870
C -2.743021 -1.594494 0.487857
C -1.612727 -1.093359 -1.703309
C -3.294476 -2.531576 -0.592334
C -2.325034 -2.451740 -1.783882
C -3.190543 1.264498 -0.760576
C -1.850156 1.331247 1.318065
C -3.247076 2.799533 -0.797985
C -1.897408 2.868046 1.314330
C -3.157646 3.388237 0.614518
C 0.899915 -0.604846 0.293632
C 1.137403 0.475607 -0.589104
C 1.985364 -1.237461 0.950128
C 2.436126 0.903349 -0.819937
C 3.280494 -0.802752 0.715493
C 3.511368 0.264665 -0.173873
H -3.546571 -1.049028 1.025525
H -0.566660 -1.162581 -2.054188
H -2.093956 -0.351028 -2.372734
H -4.311739 -2.216027 -0.886047
H -3.392480 -3.568945 -0.218203
H -1.587230 -3.275471 -1.732818
H -2.854633 -2.573237 -2.743664
H -4.092300 0.862733 -0.250146
H -3.198736 0.867564 -1.802718
H -0.890474 1.003938 1.774997
H -2.668224 0.924857 1.950613
H -4.179525 3.123373 -1.296061
H -2.411518 3.186628 -1.415938
H -0.996013 3.262472 0.802128
H -1.849560 3.239334 2.355054
H -3.138443 4.493365 0.566768
H -4.058791 3.123605 1.199305
H 0.300686 0.995219 -1.066739
H 1.804427 -2.065400 1.639769
H 2.637620 1.739176 -1.500453
H 4.131929 -1.282189 1.213465


%chk=000281052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281052

0 1
O 5.080720 1.611723 -1.297964
O 5.829522 -0.015617 0.119144
N -1.975724 0.862983 -0.109124
N -0.487563 -0.998824 0.488176
N -2.001993 -2.286677 1.540059
N -0.752715 -1.958676 1.507600
N 4.878109 0.626628 -0.480903
C -1.730469 -0.599077 -0.262960
C -2.766444 -1.581759 0.434197
C -1.622915 -1.100064 -1.738772
C -3.208442 -2.597097 -0.650433
C -2.040348 -2.588908 -1.670611
C -3.229350 1.353753 -0.750439
C -1.899576 1.338966 1.306166
C -3.272044 2.896949 -0.756216
C -1.902265 2.879457 1.366643
C -3.155663 3.460261 0.676749
C 0.837301 -0.586878 0.259603
C 1.107736 0.508656 -0.613480
C 1.917565 -1.265013 0.900945
C 2.431741 0.902199 -0.857429
C 3.238564 -0.863992 0.660842
C 3.490364 0.213013 -0.222777
H -3.617534 -1.063022 0.906748
H -0.607925 -0.949111 -2.141454
H -2.320890 -0.546001 -2.388925
H -4.141063 -2.243968 -1.129636
H -3.405677 -3.590045 -0.212164
H -1.203243 -3.208128 -1.297146
H -2.334741 -2.988080 -2.655956
H -4.133895 0.972249 -0.209598
H -3.286988 0.986636 -1.787674
H -0.974939 0.951985 1.764043
H -2.759549 0.946431 1.906013
H -4.214315 3.228676 -1.232776
H -2.433977 3.273311 -1.374089
H -0.990884 3.256539 0.863889
H -1.853197 3.197566 2.425209
H -3.113083 4.565027 0.657184
H -4.059559 3.182062 1.257444
H 0.269565 1.058057 -1.050847
H 1.699704 -2.095377 1.575442
H 2.662257 1.739420 -1.521428
H 4.081625 -1.371031 1.137404


