%chk=000240757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240757

0 1
O -4.743772 1.616207 0.080472
O -5.233617 -0.029429 -1.233708
N 0.746540 -1.526119 0.203890
N 1.192069 -2.688894 -0.417443
N 2.363313 -2.976829 -0.128092
N -4.463662 0.582011 -0.508355
C 1.875699 -0.912134 1.021734
C 2.990916 -1.978453 0.805588
C 2.285680 0.453201 0.528968
C -0.542060 -0.990425 0.008874
C 2.502938 1.476072 1.464490
C 2.473204 0.705534 -0.837241
C -0.912803 0.208510 0.663164
C -1.471197 -1.666955 -0.821225
C 2.904849 2.742634 1.032217
C 2.871127 1.975559 -1.264083
C -2.193242 0.716773 0.490362
C -2.746785 -1.152267 -0.987079
C -3.112627 0.040190 -0.331119
C 3.087942 2.994705 -0.331472
H 1.546152 -0.879509 2.089772
H 3.911191 -1.567225 0.341755
H 3.293162 -2.488568 1.740902
H 2.363290 1.291071 2.528522
H 2.303958 -0.084273 -1.569911
H -0.204102 0.746869 1.290477
H -1.184070 -2.591972 -1.327342
H 3.074125 3.535906 1.759922
H 3.011173 2.170536 -2.327386
H -2.498208 1.645269 0.988511
H -3.479648 -1.662007 -1.624769
H 3.397765 3.984113 -0.666498


%chk=000240757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240757

0 1
O -4.902794 1.549325 0.156733
O -5.377348 -0.209492 -1.221487
N 0.750721 -1.452963 0.145754
N 1.154551 -2.660508 -0.494051
N 2.351595 -2.997910 -0.155700
N -4.568149 0.465006 -0.468287
C 1.843104 -0.868794 0.990076
C 2.922916 -1.993938 0.833915
C 2.314385 0.504317 0.519941
C -0.557471 -0.972553 -0.016689
C 2.581100 1.521183 1.468577
C 2.531459 0.764890 -0.856398
C -0.971300 0.219961 0.645774
C -1.486251 -1.684672 -0.834733
C 3.064381 2.781800 1.050620
C 3.009886 2.024967 -1.275031
C -2.285579 0.689254 0.499137
C -2.796349 -1.212565 -0.982480
C -3.191304 -0.028495 -0.313508
C 3.279558 3.036642 -0.323044
H 1.497887 -0.801590 2.038684
H 3.876068 -1.614450 0.430882
H 3.127893 -2.532942 1.774346
H 2.413840 1.328165 2.536348
H 2.314536 -0.011275 -1.600577
H -0.264739 0.787966 1.255744
H -1.162033 -2.598766 -1.335946
H 3.267402 3.562295 1.791973
H 3.168409 2.220454 -2.341145
H -2.622184 1.602156 0.997268
H -3.523799 -1.742122 -1.603161
H 3.648905 4.014753 -0.649638


