%chk=000229351.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229351

0 1
O 3.554243 -0.010461 -0.015939
O -1.371973 -2.349892 0.129762
O -3.230846 1.883122 -0.128143
N 1.394159 -0.947580 0.043753
N -2.314335 -0.250451 0.010489
N -0.950398 1.766779 -0.118098
N 1.517086 1.366051 -0.096555
C 0.069776 -0.446466 0.015586
C 0.185101 0.967333 -0.070485
C -1.185347 -1.151127 0.060947
C 2.214369 0.171256 -0.025059
C -2.250579 1.167214 -0.079217
C 1.773789 -2.357965 0.128938
C -3.681793 -0.836792 0.073018
C 4.341252 1.224599 -0.092877
H -0.874185 2.785901 -0.182180
H 2.371250 -2.657832 -0.751775
H 2.369160 -2.550252 1.040581
H 0.862322 -2.997302 0.166250
H -4.359815 -0.313039 -0.624231
H -4.092379 -0.747274 1.093169
H -3.642688 -1.908762 -0.198667
H 4.121365 1.857427 0.773530
H 4.118516 1.746946 -1.029367
H 5.361752 0.825567 -0.070032


%chk=000229351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229351

0 1
O 3.544762 -0.022003 -0.028104
O -1.400708 -2.421479 0.123976
O -3.263293 1.921639 -0.074191
N 1.378984 -0.978536 0.031501
N -2.320803 -0.234356 0.024460
N -0.937443 1.719646 -0.083083
N 1.509040 1.317043 -0.080642
C 0.053323 -0.484470 0.016434
C 0.183780 0.910471 -0.051954
C -1.213064 -1.164709 0.060580
C 2.189778 0.138467 -0.027375
C -2.239730 1.182874 -0.046302
C 1.810172 -2.384436 0.095571
C -3.691468 -0.793144 0.064486
C 4.329542 1.235048 -0.088953
H -0.860203 2.736684 -0.132637
H 2.406241 -2.642107 -0.796092
H 2.424174 -2.554667 0.995977
H 0.906543 -3.011441 0.135130
H -4.250305 -0.489244 -0.835763
H -4.228774 -0.414890 0.949573
H -3.597453 -1.887872 0.109054
H 4.098463 1.867049 0.784633
H 4.090566 1.785297 -1.014217
H 5.377675 0.906135 -0.078664


