%chk=000269024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269024

0 1
O 0.087878 0.445923 1.375054
O 0.184347 -2.524621 -0.646225
O 1.820750 -2.421907 0.877227
N 0.111640 0.479774 0.084229
N -4.650349 -0.591976 -0.254550
C 1.259011 -0.418796 -0.476196
C 0.334312 1.917938 -0.440851
C 2.623840 0.141130 -0.036444
C 1.690986 2.458581 0.010879
C 2.827974 1.578583 -0.514979
C -1.237824 -0.012145 -0.499637
C 1.161077 -1.841946 0.059109
C -2.385016 0.544500 0.351331
C -3.644088 -0.090291 0.012275
H 1.179690 -0.442648 -1.592484
H -0.476820 2.551067 -0.019134
H 0.246044 1.933233 -1.543865
H 3.435119 -0.517201 -0.401966
H 2.676549 0.102637 1.080060
H 1.717490 2.480666 1.125509
H 1.810206 3.504852 -0.325755
H 2.882748 1.624041 -1.618810
H 3.802712 1.958705 -0.148992
H -1.270198 -1.129793 -0.467073
H -1.331637 0.275691 -1.562761
H -2.133292 0.374107 1.441536
H -2.470797 1.650243 0.250882
H 0.074448 -3.466347 -0.340267


%chk=000269024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269024

0 1
O 0.120136 0.487072 1.475654
O 0.310405 -2.622421 -0.898665
O 1.672010 -2.388726 0.970061
N 0.105030 0.481337 0.070751
N -4.706901 -0.638268 -0.000995
C 1.282173 -0.437224 -0.505480
C 0.346237 1.914617 -0.490534
C 2.624382 0.128690 -0.011415
C 1.678121 2.470896 0.015816
C 2.850561 1.587505 -0.456576
C -1.263478 -0.025028 -0.467836
C 1.126472 -1.876010 -0.023755
C -2.396459 0.639026 0.341532
C -3.670190 -0.065957 0.150543
H 1.177961 -0.410690 -1.606265
H -0.499838 2.515122 -0.121186
H 0.314034 1.861977 -1.596720
H 3.435162 -0.526617 -0.380025
H 2.615568 0.055786 1.090505
H 1.636082 2.491013 1.119820
H 1.787717 3.510877 -0.344611
H 2.946194 1.642879 -1.561218
H 3.802452 1.956791 -0.033377
H -1.286698 -1.111453 -0.312014
H -1.323097 0.185420 -1.550348
H -2.067053 0.596552 1.401672
H -2.537664 1.701770 0.072758
H 0.247480 -3.560937 -0.569988


