%chk=000189736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189736

0 1
O 1.088330 -3.165114 0.893907
N 0.483080 2.566730 0.378231
N -0.505414 -1.767505 0.017022
C 1.069060 3.909774 0.044099
C -0.642340 2.863733 1.325111
C -0.033878 4.977477 0.221890
C -1.141794 4.300013 1.049300
C 0.028892 1.849261 -0.863224
C -0.445581 0.476751 -0.524921
C 0.339140 -0.624742 -0.255508
C -1.837412 0.070908 -0.432503
C -1.860867 -1.321490 -0.088984
C 1.803366 -0.714583 -0.297139
C -3.038586 0.767201 -0.608648
C -3.075303 -1.992798 0.108357
C -0.023423 -3.060667 0.434444
C -4.239808 0.087989 -0.430442
C -4.253935 -1.274192 -0.070492
C 2.567550 0.069127 0.581472
C 2.440347 -1.539206 -1.239704
C -0.947053 -4.219039 0.224847
C 3.962976 0.016785 0.522278
C 3.835053 -1.582912 -1.293260
C 4.597105 -0.808101 -0.411519
H 1.516104 3.933365 -0.964779
H 1.897082 4.077144 0.766075
H -0.219790 2.784246 2.349510
H -1.453354 2.116267 1.257411
H 0.359419 5.872184 0.730007
H -0.419252 5.316864 -0.753030
H -2.096247 4.288801 0.498891
H -1.331345 4.840588 1.990086
H -0.759572 2.402468 -1.420144
H 0.912069 1.775855 -1.543200
H -3.023939 1.821386 -0.878018
H -3.108991 -3.039165 0.402290
H -5.184744 0.610731 -0.564954
H -5.211992 -1.773155 0.072650
H 2.065277 0.726543 1.296715
H 1.848118 -2.144921 -1.921931
H -1.270845 -4.305581 -0.823577
H -0.438423 -5.160473 0.492370
H -1.855879 -4.152868 0.846006
H 4.554980 0.620031 1.207882
H 4.329686 -2.224821 -2.019224
H 5.683633 -0.849685 -0.452151


%chk=000189736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189736

0 1
O 1.010530 -3.154888 1.123340
N 0.514129 2.637102 0.619125
N -0.499690 -1.782915 -0.030755
C 1.045698 4.001021 0.311244
C -0.634143 2.927790 1.531053
C -0.196585 4.948805 0.168561
C -1.317283 4.236437 0.997320
C 0.129266 1.892150 -0.631299
C -0.385605 0.500690 -0.363166
C 0.382827 -0.648471 -0.173067
C -1.784010 0.102716 -0.371840
C -1.848770 -1.318161 -0.177388
C 1.850015 -0.773105 -0.303595
C -2.973912 0.851188 -0.547664
C -3.093168 -1.983750 -0.131683
C -0.080512 -3.045278 0.511482
C -4.214323 0.184597 -0.517204
C -4.268440 -1.218402 -0.306968
C 2.699568 0.188980 0.306161
C 2.433497 -1.792021 -1.107537
C -0.989781 -4.245602 0.291630
C 4.099121 0.117898 0.130100
C 3.829381 -1.858146 -1.281146
C 4.671729 -0.905779 -0.658007
H 1.686400 3.975972 -0.586859
H 1.669282 4.328211 1.165158
H -0.225833 3.107565 2.543641
H -1.314915 2.064359 1.592135
H 0.024688 5.961047 0.549717
H -0.493170 5.052940 -0.890416
H -2.189821 4.000725 0.361367
H -1.681623 4.864766 1.828906
H -0.630103 2.446702 -1.233273
H 1.047323 1.829060 -1.244808
H -2.928743 1.934371 -0.704804
H -3.185846 -3.058748 0.022792
H -5.143667 0.747823 -0.654131
H -5.239259 -1.725484 -0.283473
H 2.247834 0.984416 0.912378
H 1.791763 -2.527297 -1.606288
H -1.468713 -4.240540 -0.701092
H -0.369491 -5.148395 0.401063
H -1.776567 -4.286885 1.067170
H 4.741737 0.860931 0.616091
H 4.262251 -2.650310 -1.902387
H 5.758431 -0.962880 -0.788084


