%chk=000245109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245109

0 1
I 0.032675 4.106640 0.022551
O -3.473672 -0.030557 -0.323020
O 3.501911 -0.021391 -0.127943
O -2.663449 -1.813091 0.587787
O 2.581907 -1.970953 -0.028029
N -2.551159 -0.700329 0.109203
N 2.529541 -0.755407 -0.062930
C -0.009599 -0.831751 0.008174
C -1.206326 -0.075405 0.055785
C 1.203759 -0.094487 -0.023118
C -1.196217 1.332130 0.048204
C 1.217044 1.312993 -0.015357
C 0.005505 -2.307068 -0.028006
C 0.016156 2.014390 0.018081
H -2.154864 1.878346 0.063116
H 2.186183 1.842223 -0.038237
H 0.525096 -2.731281 0.855994
H -0.986440 -2.791377 -0.050695
H 0.576148 -2.698822 -0.892759


%chk=000245109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245109

0 1
I 0.030701 4.184163 0.080811
O -3.523263 -0.070822 -0.348263
O 3.490672 -0.101585 -0.667488
O -2.626466 -1.838566 0.778624
O 2.684417 -1.863815 0.534006
N -2.527126 -0.708492 0.167012
N 2.539961 -0.731495 -0.064350
C 0.003648 -0.853345 0.004856
C -1.182595 -0.066100 0.079918
C 1.198998 -0.076859 -0.027867
C -1.200485 1.346373 0.091410
C 1.230639 1.335227 -0.018004
C -0.008040 -2.362703 -0.121296
C 0.018712 2.046499 0.046051
H -2.164234 1.859728 0.129336
H 2.198372 1.839947 -0.067393
H 0.041928 -2.836754 0.874305
H -0.933005 -2.715713 -0.600581
H 0.861365 -2.720885 -0.692285


