%chk=000180931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180931

0 1
O -2.710224 1.238546 0.100132
N 3.590658 -0.010830 0.151855
N 4.963540 0.119117 0.178370
N 7.069387 -0.915882 0.349605
N 5.248204 -2.266498 -0.423305
C -1.326401 1.081521 0.073517
C 1.450016 1.076903 0.087349
C -0.644929 2.208740 -0.415450
C -0.658218 -0.041517 0.571662
C -3.540421 0.119920 -0.009126
C 0.746436 2.197661 -0.398733
C 0.737828 -0.034019 0.571765
C -3.260224 -0.966775 -0.844132
C -4.737705 0.232322 0.713551
C -4.221166 -1.976489 -0.950032
C -5.680177 -0.788057 0.583536
C 2.924715 1.111854 0.080527
C -5.423864 -1.891465 -0.240940
C 5.678281 -0.997789 0.044402
H -1.207330 3.062105 -0.788920
H -1.209235 -0.893764 0.963177
H 1.293579 3.063914 -0.773181
H 1.284076 -0.898629 0.956522
H -2.329667 -1.017266 -1.404470
H -4.911886 1.099331 1.346695
H -4.029591 -2.833911 -1.595193
H -6.620698 -0.725748 1.131006
H 3.376928 2.114427 0.008638
H -6.164525 -2.682965 -0.331310
H 7.686208 -1.366168 -0.318699
H 7.390484 0.028428 0.564109
H 4.239308 -2.406287 -0.416273
H 5.746513 -3.078029 -0.079356


%chk=000180931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180931

0 1
O -2.720511 1.198930 0.336911
N 3.714144 -0.023556 0.031323
N 5.101625 0.198644 -0.144653
N 7.178427 -0.848798 0.038721
N 5.216061 -2.151756 0.360418
C -1.320489 1.065925 0.157891
C 1.510370 1.021437 -0.067649
C -0.633317 2.233186 -0.239705
C -0.610631 -0.124576 0.458248
C -3.601672 0.115466 0.094248
C 0.770063 2.205567 -0.348832
C 0.790031 -0.139463 0.342194
C -3.394594 -0.831960 -0.936443
C -4.772171 0.087645 0.884576
C -4.374844 -1.824549 -1.159973
C -5.743922 -0.908152 0.646279
C 2.969273 1.041662 -0.197810
C -5.549185 -1.870904 -0.372529
C 5.797335 -0.931702 0.086201
H -1.207358 3.139847 -0.452278
H -1.149415 -1.017158 0.791811
H 1.304768 3.111545 -0.658965
H 1.353424 -1.047918 0.577576
H -2.494834 -0.786389 -1.557813
H -4.902042 0.842947 1.665459
H -4.220854 -2.557649 -1.959739
H -6.652199 -0.932266 1.258491
H 3.446499 1.990894 -0.499014
H -6.304220 -2.643083 -0.553986
H 7.759019 -1.672740 -0.089231
H 7.565498 0.071032 -0.161070
H 4.194177 -2.113855 0.407441
H 5.731444 -2.935549 0.749202


