%chk=000199347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199347

0 1
N 0.615323 1.066258 1.083020
N 3.033257 2.451928 0.581881
N 0.353465 -1.628463 -0.145909
N 3.795110 -0.721198 -1.160683
C -1.769852 1.826313 0.777323
C -0.321173 1.913500 0.270144
C -2.403787 0.502246 0.454736
C 1.637347 0.441301 0.268725
C 2.867404 1.133494 0.114254
C 1.511497 -0.840467 -0.324395
C -2.784078 0.205770 -0.864410
C -2.602867 -0.454012 1.462187
C 3.917515 0.503504 -0.611875
C 2.626276 -1.380211 -1.024175
C -3.352690 -1.032971 -1.169182
C -3.171367 -1.692827 1.151327
C -3.544522 -1.986361 -0.163580
H 0.045431 2.961942 0.366481
H -0.278305 1.670748 -0.813820
H -2.362815 2.649394 0.324221
H -1.799316 2.027717 1.869165
H 0.102010 0.355836 1.620127
H -2.642276 0.945318 -1.650615
H -2.320673 -0.233519 2.490531
H 4.876787 1.006431 -0.757111
H 2.576001 -2.372972 -1.477638
H -3.651965 -1.255011 -2.192931
H -3.323600 -2.431062 1.938336
H -3.989437 -2.950294 -0.402714
H 3.983554 2.730518 0.783619
H 2.387242 2.737241 1.313000
H 0.260957 -2.416140 -0.773725
H -0.524254 -1.130051 -0.047014


%chk=000199347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199347

0 1
N 0.506288 0.800448 0.714300
N 2.897555 2.102322 1.284193
N 0.612233 -1.469294 -1.124257
N 4.184640 -0.458084 -1.087893
C -1.728906 1.891216 0.519011
C -0.308331 1.758547 -0.084428
C -2.491549 0.570436 0.487099
C 1.729708 0.340401 0.101844
C 2.941312 1.032282 0.398264
C 1.770771 -0.760435 -0.803547
C -2.885928 -0.004369 -0.752295
C -2.796191 -0.131458 1.682235
C 4.145702 0.596338 -0.230711
C 3.034162 -1.124026 -1.364869
C -3.562712 -1.243942 -0.793989
C -3.472225 -1.374021 1.644537
C -3.855968 -1.935662 0.405800
H 0.192982 2.745078 -0.085145
H -0.389433 1.439240 -1.148633
H -2.273874 2.662700 -0.057640
H -1.643444 2.256001 1.559682
H -0.067592 0.047129 1.117930
H -2.674924 0.530657 -1.686833
H -2.509106 0.302295 2.648141
H 5.096494 1.105949 -0.031181
H 3.108742 -1.969315 -2.061258
H -3.868098 -1.666415 -1.758113
H -3.698947 -1.899616 2.578902
H -4.382109 -2.896064 0.374155
H 3.749854 2.561618 1.589679
H 2.025300 2.235867 1.796649
H 0.663236 -2.265105 -1.753138
H -0.303441 -1.176816 -0.789192


