%chk=000216560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216560

0 1
O -0.293878 1.650232 0.203902
O 0.222089 0.035417 -2.023540
O -2.457948 0.802997 1.805211
O -3.230590 -2.752944 -0.957860
O -2.073990 2.131010 -1.115886
N -1.392240 -1.440884 -1.425504
N -2.800905 -1.002452 0.478495
C -0.637063 0.258458 0.260733
C 0.410170 -0.414855 1.210137
C 1.771732 -0.568241 0.566037
C 0.532844 0.370417 2.516527
C -0.536303 -0.331567 -1.164636
C -2.032749 0.110086 0.914786
C 2.364123 -1.838652 0.511709
C 2.462124 0.542250 0.059409
C -2.530689 -1.811712 -0.661887
C -1.097806 2.530680 -0.537283
C 3.636789 -1.993396 -0.045310
C 3.732842 0.382506 -0.498343
C 4.322950 -0.884610 -0.550206
C -0.502106 3.881894 -0.425303
H 0.002208 -1.436571 1.443700
H -0.420898 0.428260 3.058668
H 0.853825 1.405877 2.332550
H 1.272662 -0.089072 3.183426
H -1.256493 -1.945148 -2.318437
H -3.695852 -1.183875 0.964406
H 1.840688 -2.709177 0.902783
H 1.991710 1.526921 0.086267
H 4.093091 -2.981164 -0.087073
H 4.262176 1.246042 -0.897864
H 5.312700 -1.007819 -0.986173
H -0.165461 4.242463 -1.413277
H 0.366899 3.912896 0.253867
H -1.245950 4.606436 -0.049930


%chk=000216560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216560

0 1
O -0.293453 1.763448 0.248632
O 0.188604 0.199751 -2.037090
O -2.512680 0.917427 1.803753
O -3.066982 -2.883599 -0.821175
O -2.162742 2.077101 -1.101219
N -1.309292 -1.424474 -1.324805
N -2.698598 -1.025961 0.550464
C -0.637536 0.339684 0.291271
C 0.431071 -0.373144 1.232316
C 1.791612 -0.570098 0.559695
C 0.558610 0.368720 2.587100
C -0.552390 -0.251734 -1.137801
C -2.036869 0.155570 0.930420
C 2.257013 -1.882420 0.296171
C 2.623101 0.529394 0.224757
C -2.397957 -1.858105 -0.546560
C -1.165105 2.562803 -0.528685
C 3.526834 -2.098147 -0.286207
C 3.889282 0.316751 -0.360174
C 4.347582 -0.996897 -0.616798
C -0.697107 3.991794 -0.548013
H 0.008141 -1.379334 1.427600
H -0.417685 0.493204 3.084110
H 0.996956 1.369509 2.447158
H 1.224988 -0.211419 3.248828
H -1.160467 -1.936917 -2.200290
H -3.563770 -1.254110 1.051041
H 1.626132 -2.743262 0.553118
H 2.269108 1.549120 0.405587
H 3.872553 -3.119762 -0.479619
H 4.518307 1.175216 -0.621249
H 5.331674 -1.159215 -1.070404
H 0.237157 4.064729 -1.133144
H -0.479843 4.339709 0.475386
H -1.465548 4.627373 -1.010073


