%chk=000229912.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229912

0 1
O 2.681641 -0.481742 -0.934974
O 4.953597 0.506554 1.292818
O 2.430660 1.422786 0.273712
O -2.317212 1.424832 -1.892850
O -4.744963 1.332394 -0.216699
N -2.603868 0.464174 0.195672
N -4.579928 -0.657520 0.918719
C 4.135861 -0.435897 -0.798816
C 4.562465 -0.701800 0.645028
C 1.940127 0.533953 -0.386638
C 0.513364 0.312359 -0.733879
C -0.402784 1.240631 -0.463253
C -1.848272 1.086062 -0.837453
C -4.052819 0.447170 0.225471
H 4.429573 -1.239218 -1.499599
H 4.497988 0.544778 -1.160259
H 5.481833 -1.319062 0.695679
H 3.757278 -1.193547 1.222372
H 0.294295 -0.639000 -1.231574
H -0.160300 2.201921 0.013213
H -2.108908 0.090724 1.011069
H 4.202089 1.160221 1.280993
H -5.588170 -0.767532 0.901014
H -4.064745 -1.516042 1.022736


%chk=000229912-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229912

0 1
O 2.390808 -0.760851 -0.534260
O 5.077786 0.845616 0.738701
O 2.527952 1.534446 -0.088185
O -2.417281 2.641118 -0.900698
O -4.846296 1.166549 -0.221078
N -2.580566 0.487373 0.079209
N -4.346963 -1.017653 0.421035
C 3.887540 -0.897419 -0.624329
C 4.645198 -0.540077 0.669257
C 1.847594 0.498579 -0.320638
C 0.367009 0.434030 -0.392354
C -0.393419 1.553848 -0.229177
C -1.886966 1.626346 -0.382429
C -4.003772 0.285239 0.060427
H 3.996898 -1.963222 -0.880022
H 4.246648 -0.265464 -1.457374
H 5.576043 -1.134560 0.693850
H 4.028649 -0.838847 1.545963
H -0.055886 -0.550049 -0.624079
H 0.099312 2.522449 -0.078119
H -2.013093 -0.219588 0.553758
H 4.286256 1.420262 0.535096
H -5.342216 -1.226606 0.468535
H -3.682435 -1.784321 0.509413


