%chk=000258286.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258286

0 1
O 4.550577 2.086166 0.079037
O -5.855507 -0.404681 -0.025041
O 5.869961 -1.930412 0.029877
O -0.972064 -1.381926 -0.006116
O 6.465600 0.227389 0.064342
O -5.091328 1.724555 0.011563
N 0.020996 0.705237 0.030739
C 1.392775 0.328310 0.033906
C 4.136935 -0.312347 0.041962
C 2.334828 1.367558 0.054691
C 3.701199 1.040024 0.058557
C 1.808231 -1.026807 0.017096
C 3.156343 -1.330382 0.021221
C -1.093014 -0.175728 0.010865
C 5.556794 -0.597288 0.046823
C -2.409223 0.536457 0.012279
C -7.245785 0.090262 -0.027120
C -3.547649 -0.160851 -0.005730
C -8.072080 -1.175243 -0.051222
C -4.864348 0.535754 -0.004514
H 2.055207 2.418456 0.068142
H 1.062330 -1.829485 0.000881
H 3.490400 -2.374244 0.008242
H -0.159648 1.715742 0.044243
H -2.407132 1.632195 0.028375
H -7.383834 0.695622 0.885292
H -7.371681 0.722129 -0.923172
H -3.582828 -1.260181 -0.022082
H 5.545448 1.802134 0.081353
H -9.145562 -0.948310 -0.055095
H -7.852731 -1.784136 -0.939935
H -7.864551 -1.809976 0.822119
H 6.858340 -2.078894 0.034021


%chk=000258286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258286

0 1
O 4.548199 2.166110 0.045820
O -5.915112 -0.457360 -0.013816
O 6.061647 -1.807924 0.036802
O -0.985209 -1.587742 0.017960
O 6.505425 0.464321 0.044442
O -5.007385 1.697146 0.040292
N 0.030142 0.542860 0.035586
C 1.409225 0.223188 0.035910
C 4.202170 -0.277715 0.038001
C 2.317746 1.308987 0.040644
C 3.707426 1.074466 0.041567
C 1.887766 -1.125448 0.031917
C 3.268180 -1.350462 0.033217
C -1.075493 -0.323064 0.027528
C 5.645384 -0.483780 0.039663
C -2.381499 0.399742 0.030116
C -7.288970 0.137666 -0.016795
C -3.561670 -0.277330 0.015146
C -8.272688 -1.024715 -0.087904
C -4.855529 0.448618 0.017908
H 1.972510 2.348403 0.043395
H 1.173403 -1.948603 0.028040
H 3.654547 -2.373836 0.030460
H -0.186423 1.543413 0.040915
H -2.403468 1.498792 0.043890
H -7.404270 0.740188 0.902459
H -7.367271 0.818013 -0.884208
H -3.575813 -1.372188 0.000089
H 5.511901 1.825769 0.045967
H -9.307606 -0.636953 -0.092623
H -8.119318 -1.615409 -1.006651
H -8.157080 -1.694155 0.781087
H 7.056131 -1.833901 0.038776


