%chk=000227748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227748

0 1
O -5.365754 -0.475468 -0.092168
N 0.953120 -1.339438 0.090700
N 2.237197 0.716304 -0.021384
N 3.284144 -1.490740 0.146910
N 4.688909 0.474562 0.042952
N 3.657924 2.602067 -0.119250
C -0.372457 -0.818431 0.030052
C -3.055651 0.004458 -0.077067
C -0.683569 0.547366 -0.067797
C -1.409867 -1.781676 0.074579
C -2.019347 0.946014 -0.120321
C -2.733427 -1.363100 0.020842
C -4.499138 0.375102 -0.129815
C 2.164447 -0.653505 0.068797
C -4.852901 1.832335 -0.230668
C 3.527524 1.240595 -0.031021
C 4.494362 -0.871207 0.129190
H 0.105604 1.303904 -0.103481
H -1.184456 -2.843748 0.150165
H -2.244393 2.011331 -0.196251
H -3.547473 -2.097143 0.054206
H 1.041268 -2.366895 0.161178
H -4.450817 2.289696 -1.143228
H -4.482500 2.404859 0.628746
H -5.946520 1.963304 -0.258816
H 5.393254 -1.510429 0.189640
H 2.844651 3.193788 -0.175121
H 4.573964 3.024995 -0.129870


%chk=000227748-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227748

0 1
O -5.438937 -0.529404 -0.092497
N 0.972907 -1.277125 0.088196
N 2.280974 0.730884 -0.024993
N 3.273011 -1.495644 0.155411
N 4.717419 0.457984 0.046911
N 3.726142 2.573540 -0.127905
C -0.352473 -0.795715 0.028770
C -3.089934 -0.000865 -0.076625
C -0.690816 0.582455 -0.062410
C -1.394024 -1.771010 0.066048
C -2.045222 0.960687 -0.113456
C -2.736179 -1.377081 0.014238
C -4.541271 0.366478 -0.129886
C 2.193721 -0.627125 0.069758
C -4.924875 1.841215 -0.230513
C 3.567995 1.219695 -0.032959
C 4.484337 -0.881928 0.138289
H 0.112233 1.319719 -0.090985
H -1.137725 -2.835860 0.136162
H -2.284727 2.027211 -0.183577
H -3.544636 -2.114904 0.042095
H 1.093083 -2.292648 0.159887
H -4.504911 2.299095 -1.145628
H -4.538171 2.412076 0.634274
H -6.021728 1.924691 -0.256533
H 5.365048 -1.527680 0.204700
H 2.908024 3.174291 -0.189813
H 4.668833 2.955869 -0.135259


