%chk=000296243.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296243

0 1
O 3.491178 -1.252494 0.732786
N -0.336237 -0.441563 -0.589995
N 2.441134 1.630879 0.305278
N 0.298363 1.996021 -0.411281
N 1.403823 -1.995869 0.051646
C -1.753499 -0.205726 -0.973534
C -2.675124 -0.266327 0.252920
C -4.139894 -0.063370 -0.156051
C 0.526331 0.624730 -0.306342
C 1.853684 0.374080 0.138868
C 0.186502 -1.736965 -0.357747
C -5.069447 -0.126894 1.052743
C 2.376831 -0.983550 0.350930
C 1.476319 2.578663 -0.035119
H -1.827680 0.796608 -1.464128
H -2.047703 -0.960156 -1.736119
H -2.376270 0.512823 0.985041
H -2.558677 -1.231086 0.782840
H -4.439419 -0.830554 -0.897103
H -4.257724 0.915027 -0.664496
H -0.504863 -2.573058 -0.563763
H -4.827432 0.646772 1.791424
H -6.114498 0.022257 0.756265
H -5.009814 -1.095442 1.562665
H 3.387612 1.776448 0.613884
H 1.642103 3.648745 -0.004313


%chk=000296243-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296243

0 1
O 3.685016 -1.144067 0.527745
N -0.301020 -0.556890 -0.601666
N 2.291496 1.628585 0.413521
N 0.110089 1.877383 -0.197147
N 1.599934 -2.030732 -0.204400
C -1.731141 -0.397098 -0.965898
C -2.651049 -0.223607 0.262212
C -4.129968 -0.057364 -0.155083
C 0.480059 0.535249 -0.237722
C 1.823158 0.341537 0.134541
C 0.342986 -1.796774 -0.552827
C -5.068077 0.118916 1.057741
C 2.478822 -0.960976 0.184639
C 1.242067 2.510407 0.202146
H -1.813190 0.486338 -1.624621
H -2.025325 -1.289710 -1.549084
H -2.323811 0.665321 0.833817
H -2.545582 -1.101600 0.929989
H -4.451300 -0.939791 -0.745896
H -4.224020 0.820952 -0.825410
H -0.286919 -2.645972 -0.846048
H -4.788483 1.010900 1.648748
H -6.118741 0.241468 0.738005
H -5.019779 -0.757972 1.730203
H 3.242881 1.840972 0.715208
H 1.327496 3.584525 0.344587


