%chk=000236518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236518

0 1
O 4.000851 0.740293 -0.576218
O 2.113838 2.860250 0.201251
O 2.935778 -1.968213 -0.502092
O -1.618772 -0.784903 2.201436
O -6.659102 0.096054 -1.365843
O -6.470450 -0.672691 0.729164
N -2.293816 -0.061226 0.084919
N -3.603863 -0.270729 0.338897
C 0.064026 -0.062467 0.623854
C 2.695593 0.466077 -0.183208
C 1.836301 1.524389 0.188941
C 2.186624 -0.852796 -0.194710
C 0.509399 1.255362 0.593608
C 0.873235 -1.125676 0.218969
C -1.325909 -0.360125 1.120074
C 4.987828 0.300450 0.405651
C 3.425809 3.309986 -0.232304
C 3.673551 -1.922235 -1.755948
C -4.489695 -0.006755 -0.583419
C -5.911177 -0.256004 -0.250983
H -0.124820 2.087829 0.899621
H 0.520419 -2.157158 0.232069
H -1.960940 0.304575 -0.820371
H 4.901548 -0.779344 0.570372
H 4.852760 0.851231 1.339873
H 5.931320 0.559932 -0.084904
H 3.672091 2.893363 -1.215480
H 4.173594 3.025932 0.512603
H 3.281903 4.396633 -0.271896
H 4.254238 -0.997919 -1.851628
H 2.961492 -2.031144 -2.579098
H 4.321402 -2.802170 -1.669187
H -4.324416 0.384783 -1.597980
H -7.632542 -0.042185 -1.223935


%chk=000236518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236518

0 1
O 4.113856 0.850941 -0.181676
O 1.915935 2.729509 -0.039635
O 3.493469 -1.972275 -0.087508
O -1.523567 -2.181999 0.841006
O -6.751963 1.114171 -0.573814
O -6.506538 -0.920780 0.549408
N -2.332439 -0.142578 -0.004591
N -3.640448 -0.468503 0.206690
C 0.093928 -0.489713 0.192155
C 2.782002 0.394026 -0.102279
C 1.717904 1.341066 -0.060817
C 2.472688 -0.999088 -0.055480
C 0.385814 0.894307 0.090637
C 1.146684 -1.433589 0.112935
C -1.291892 -1.034081 0.392777
C 4.937189 0.544064 1.019772
C 2.769185 3.322216 -1.095639
C 4.296081 -2.007968 -1.334174
C -4.553829 0.373563 -0.228973
C -5.985802 0.064078 -0.013885
H -0.376665 1.673662 0.196228
H 0.929463 -2.502619 0.187151
H -2.077389 0.727162 -0.497899
H 4.962606 -0.544176 1.203115
H 4.524306 1.071969 1.898090
H 5.943311 0.923187 0.786378
H 2.312730 3.152444 -2.089663
H 3.785173 2.897929 -1.066342
H 2.786607 4.399171 -0.871081
H 4.780366 -1.033322 -1.522694
H 3.651015 -2.283157 -2.189359
H 5.051598 -2.790274 -1.168413
H -4.336905 1.319660 -0.756058
H -7.716378 0.914395 -0.434264


