%chk=000223296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223296

0 1
O -3.445801 -0.168971 -2.566401
O 3.443298 -0.155194 -2.567265
N -0.000401 -0.497801 -2.005668
N -2.454046 -0.592631 -0.521811
N 2.454199 -0.586316 -0.522936
C -1.229021 -1.077449 -2.621438
C 1.230007 -1.072156 -2.622811
C -2.488067 -0.547861 -1.921398
C 2.487354 -0.538899 -1.922458
C -3.505716 -0.177977 0.360541
C 3.504684 -0.169189 0.359651
C -3.245204 -0.243018 1.745941
C 3.245238 -0.238035 1.745060
C -4.752769 0.266086 -0.109519
C 4.749686 0.280815 -0.110230
C -4.241021 0.136927 2.645903
C 4.240033 0.144150 2.645219
C -5.733478 0.641558 0.810367
C 5.729395 0.658408 0.809839
C -5.485584 0.579394 2.185061
C 5.482530 0.592546 2.184557
H -1.333974 -0.864267 -3.712185
H -1.208970 -2.188468 -2.525828
H 1.214150 -2.183372 -2.528851
H 1.333736 -0.856964 -3.713279
H -0.002660 0.524139 -2.150653
H -1.578524 -0.882140 -0.072174
H 1.579911 -0.879740 -0.073418
H -2.283213 -0.583737 2.118107
H 2.284865 -0.583417 2.117104
H -4.956071 0.320033 -1.184322
H 4.952148 0.337691 -1.185041
H -4.044817 0.088179 3.716806
H 4.044626 0.092483 3.716130
H -6.702107 0.986775 0.447416
H 6.696430 1.008222 0.447040
H -6.256316 0.874155 2.893157
H 6.252472 0.889038 2.892789


%chk=000223296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223296

0 1
O -3.665229 -0.780466 -2.579572
O 3.665194 -0.772277 -2.579763
N -0.000413 -0.423042 -2.355810
N -2.215917 -0.404608 -0.751212
N 2.215166 -0.398477 -0.751548
C -1.253075 -0.998592 -2.920787
C 1.253517 -0.995881 -2.920731
C -2.508191 -0.703466 -2.070672
C 2.508024 -0.697633 -2.070814
C -3.099312 -0.114599 0.324996
C 3.097981 -0.105676 0.324380
C -2.519362 0.169279 1.591065
C 2.517483 0.177589 1.590335
C -4.512203 -0.100193 0.176588
C 4.510816 -0.087907 0.175797
C -3.339412 0.464909 2.698234
C 3.336934 0.475916 2.697223
C -5.319168 0.198604 1.295651
C 5.317176 0.213557 1.294579
C -4.746947 0.481897 2.557131
C 4.744407 0.496244 2.555947
H -1.478698 -0.656614 -3.951369
H -1.138394 -2.098705 -2.964594
H 1.141349 -2.096263 -2.964235
H 1.478269 -0.653665 -3.951428
H -0.001527 0.603619 -2.463327
H -1.204504 -0.400337 -0.560243
H 1.203762 -0.396370 -0.560490
H -1.427096 0.156582 1.707560
H 1.425264 0.162326 1.706959
H -4.950660 -0.320771 -0.798701
H 4.949693 -0.308040 -0.799405
H -2.880380 0.681185 3.669187
H 2.877487 0.691695 3.668090
H -6.408373 0.208197 1.176531
H 6.406342 0.225726 1.175329
H -5.385291 0.711406 3.416763
H 5.382288 0.727848 3.415362


