%chk=000245451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245451

0 1
O 1.607286 -1.805753 -2.125723
O -4.155456 0.499053 0.382288
O -2.310793 0.783077 1.662232
N 2.475208 0.105716 -1.237666
C 3.274638 0.341323 1.572602
C 3.544067 -0.937563 0.767604
C 2.078940 1.122042 1.010779
C 3.665640 -0.645749 -0.737981
C 2.252327 1.376491 -0.496342
C 1.408675 -0.659200 -1.754598
C 0.055856 0.010070 -1.936841
C -0.780956 -0.169662 -0.667349
C -2.125718 0.554545 -0.776742
C -2.796078 0.627366 0.567035
C -4.992416 0.578739 1.566876
H 3.089165 0.084321 2.633019
H 4.176318 0.983960 1.567223
H 4.468199 -1.427184 1.126676
H 2.728582 -1.668649 0.937484
H 1.133766 0.559673 1.186653
H 1.961870 2.081823 1.546660
H 4.569045 -0.036846 -0.953688
H 3.761174 -1.596792 -1.314044
H 1.375446 1.916739 -0.911143
H 3.138132 2.027777 -0.677845
H 0.162189 1.078950 -2.204553
H -0.449958 -0.468956 -2.803745
H -0.947939 -1.251781 -0.479562
H -0.219427 0.204809 0.224380
H -2.786992 0.052775 -1.517701
H -1.992844 1.590838 -1.157852
H -5.027195 1.618121 1.906029
H -4.598203 -0.073655 2.353381
H -5.964648 0.234684 1.198654


%chk=000245451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245451

0 1
O 1.480107 -1.802726 -2.208361
O -4.513388 0.503044 0.159759
O -2.701562 0.628470 1.616468
N 2.338975 -0.040017 -0.953399
C 3.872514 0.429236 1.496656
C 3.913805 -0.931936 0.760238
C 2.531577 1.152388 1.229735
C 3.620595 -0.755153 -0.746825
C 2.268469 1.279755 -0.291504
C 1.327445 -0.646049 -1.694652
C -0.009036 0.093871 -1.850180
C -0.917652 -0.083790 -0.605828
C -2.323107 0.514160 -0.830416
C -3.145773 0.547972 0.447945
C -5.419481 0.580505 1.333033
H 4.022141 0.286923 2.583286
H 4.708819 1.065200 1.137558
H 4.903970 -1.410899 0.883697
H 3.159536 -1.616506 1.194617
H 1.701809 0.583427 1.693109
H 2.534667 2.161966 1.683883
H 4.436286 -0.167955 -1.220223
H 3.540286 -1.723637 -1.265968
H 1.288211 1.744779 -0.472689
H 3.040864 1.943105 -0.738321
H 0.130833 1.169890 -2.069858
H -0.496995 -0.361619 -2.729432
H -1.006472 -1.162370 -0.377560
H -0.467574 0.390292 0.285337
H -2.883416 -0.034739 -1.607129
H -2.234973 1.561154 -1.189008
H -5.242732 1.514470 1.892604
H -5.248801 -0.279062 2.002623
H -6.432048 0.556953 0.907006


