%chk=000230611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230611

0 1
O 3.809380 2.152756 -0.770441
O -3.809708 -2.152296 -0.769828
O 5.405484 0.871719 0.184223
O -5.405286 -0.871986 0.186670
N 0.860333 -1.567389 0.579222
N -0.859881 1.566787 0.581040
C 0.698834 -0.261460 0.355589
C -0.698516 0.261044 0.356226
C 3.301804 -1.279029 0.378632
C -3.301473 1.278586 0.381711
C 3.084021 0.116818 0.129620
C -3.083843 -0.117051 0.131388
C 2.145164 -2.088881 0.594491
C -2.144702 2.088264 0.597523
C 1.805387 0.625649 0.121047
C -1.805209 -0.625869 0.121606
C 4.587128 -1.901769 0.426047
C -4.586772 1.901279 0.430464
C 2.290164 -3.495289 0.841692
C -2.289553 3.494468 0.845969
C 4.243194 1.024678 -0.116277
C -4.243158 -1.024713 -0.114575
C 4.699906 -3.248011 0.664913
C -4.699406 3.247320 0.670526
C 3.540716 -4.054248 0.872802
C -3.540088 4.053394 0.878337
C 4.805878 3.171476 -1.114254
C -4.806389 -3.170772 -1.113841
C 5.575731 2.739122 -2.343383
C -5.576881 -2.737561 -2.342258
H 1.611688 1.690979 -0.060418
H -1.611620 -1.691045 -0.060879
H 5.479337 -1.280407 0.281676
H -5.479071 1.280033 0.286143
H 1.386389 -4.085826 1.002212
H -1.385679 4.084880 1.006391
H 5.680128 -3.724112 0.703302
H -5.679606 3.723383 0.709948
H 3.671448 -5.120355 1.059259
H -3.670706 5.119347 1.065748
H 4.149224 4.043274 -1.291593
H 5.456860 3.337037 -0.237389
H -4.149815 -4.042440 -1.292135
H -5.456906 -3.336950 -0.236748
H 6.210564 3.547934 -2.724435
H 6.230058 1.882098 -2.123325
H 4.902168 2.432154 -3.154428
H -6.212604 -3.545828 -2.722995
H -6.230455 -1.880146 -2.121457
H -4.903762 -2.430850 -3.153758


%chk=000230611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230611

0 1
O 3.935129 2.234148 0.073865
O -3.935043 -2.234282 0.074763
O 5.522716 0.544368 -0.084913
O -5.522728 -0.544469 -0.082729
N 0.765830 -1.652122 -0.017940
N -0.765837 1.652046 -0.016005
C 0.682160 -0.301944 -0.014067
C -0.682163 0.301866 -0.013393
C 3.258734 -1.462344 -0.020415
C -3.258743 1.462271 -0.017234
C 3.122202 -0.017795 -0.014243
C -3.122203 0.017715 -0.012398
C 2.022676 -2.232209 -0.019874
C -2.022684 2.232135 -0.016690
C 1.839249 0.541646 -0.011175
C -1.839250 -0.541726 -0.010556
C 4.501468 -2.176591 -0.022634
C -4.501476 2.176524 -0.018119
C 2.074877 -3.663842 -0.021377
C -2.074882 3.663769 -0.016853
C 4.315950 0.893733 -0.017094
C -4.315936 -0.893831 -0.015355
C 4.517551 -3.575332 -0.023666
C -4.517556 3.575266 -0.017867
C 3.301764 -4.327808 -0.022992
C -3.301767 4.327738 -0.017180
C 5.037551 3.244127 0.047399
C -5.037430 -3.244293 0.048018
C 5.403753 3.608128 -1.394186
C -5.403882 -3.607595 -1.393680
H 1.694202 1.622153 -0.006770
H -1.694200 -1.622238 -0.007153
H 5.433239 -1.607905 -0.027240
H -5.433253 1.607850 -0.022759
H 1.121033 -4.199749 -0.020527
H -1.121036 4.199673 -0.016046
H 5.478004 -4.102667 -0.025489
H -5.478007 4.102605 -0.018683
H 3.338089 -5.422590 -0.023695
H -3.338089 5.422520 -0.016865
H 4.612605 4.099482 0.596320
H 5.905068 2.831413 0.591332
H -4.612350 -4.099901 0.596442
H -5.904861 -2.831876 0.592310
H 6.156029 4.418733 -1.391772
H 5.834859 2.740840 -1.921348
H 4.517492 3.961191 -1.948886
H -6.156140 -4.418217 -1.391531
H -5.835101 -2.740056 -1.920336
H -4.517712 -3.960362 -1.948714


