%chk=000217311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217311

0 1
O -2.128742 -0.084081 2.151353
O -3.142486 -1.531305 -2.014937
O 2.070712 0.736696 -2.508317
O 2.098060 2.051165 -0.791505
N -2.590262 -0.787229 0.053855
N 1.986494 0.954606 -1.312288
C -0.549570 0.660988 0.417725
C -0.970545 1.204699 -0.964846
C -0.142183 1.815439 1.368282
C 0.609395 -0.337215 0.391025
C -1.338405 0.078811 -1.924735
C -1.798855 -0.060820 0.985432
C -2.417822 -0.811489 -1.366042
C -1.238670 2.845504 1.604956
C 1.747110 -0.213420 -0.425514
C 0.573488 -1.448184 1.257744
C 2.762532 -1.186885 -0.444891
C 1.584629 -2.408302 1.263618
C 2.679364 -2.289825 0.399062
H -0.206093 1.872813 -1.402763
H -1.844483 1.883563 -0.829710
H 0.164206 1.382408 2.345090
H 0.763067 2.315330 0.955185
H -0.450421 -0.542266 -2.186013
H -1.678170 0.490421 -2.902745
H -3.383772 -1.325937 0.435956
H -1.558805 3.341231 0.682493
H -0.885690 3.632898 2.284626
H -2.123636 2.395305 2.077322
H -0.254030 -1.571410 1.965832
H 3.614468 -1.073750 -1.121890
H 1.519878 -3.258109 1.947184
H 3.461337 -3.049748 0.390557


%chk=000217311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217311

0 1
O -2.123913 -0.163373 2.201632
O -3.201786 -1.531179 -2.074359
O 2.327034 0.616645 -2.604921
O 1.983797 2.088094 -0.898810
N -2.582807 -0.782709 0.029173
N 2.019491 0.890327 -1.381163
C -0.564923 0.676090 0.444098
C -0.994481 1.230988 -0.951229
C -0.203951 1.815099 1.461498
C 0.629732 -0.328205 0.400111
C -1.363082 0.106962 -1.940454
C -1.801635 -0.099339 0.984498
C -2.445539 -0.803161 -1.382689
C -1.260792 2.930898 1.604095
C 1.761198 -0.250481 -0.464805
C 0.630770 -1.438279 1.290606
C 2.775079 -1.237029 -0.501949
C 1.654457 -2.408617 1.301290
C 2.728631 -2.323167 0.389059
H -0.225632 1.890772 -1.376858
H -1.884191 1.868995 -0.796469
H -0.050774 1.338694 2.446960
H 0.759591 2.248461 1.143248
H -0.485345 -0.518059 -2.195353
H -1.736827 0.513871 -2.895620
H -3.359886 -1.339110 0.409145
H -1.377078 3.520083 0.677107
H -0.946732 3.632312 2.397899
H -2.245989 2.524771 1.894627
H -0.195245 -1.545298 1.999721
H 3.592794 -1.126352 -1.220061
H 1.601754 -3.236558 2.015749
H 3.518378 -3.080243 0.375327


