%chk=000186153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186153

0 1
O 2.999355 -2.368529 0.000572
O 0.856229 -2.631739 -0.000913
O -4.170594 0.028481 0.000060
O -3.083893 -1.844139 0.000027
N -0.725080 -0.498262 -0.000052
N 1.848097 -1.945275 -0.000263
N -3.148846 -0.641030 -0.000078
C 0.448252 1.652113 0.000106
C 0.459108 0.221650 -0.000030
C 1.729323 -0.455576 -0.000084
C 1.685021 2.370809 0.000195
C -0.813155 2.324125 0.000158
C 2.901825 0.272687 0.000030
C 2.878337 1.695396 0.000159
C -1.868462 0.174752 -0.000022
C -1.979417 1.600051 0.000087
H -0.833131 3.416890 0.000269
H 1.656289 3.463181 0.000302
H 3.872887 -0.247255 0.000020
H 3.830358 2.231701 0.000223
H -2.970704 2.066170 0.000135


%chk=000186153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186153

0 1
O 2.633550 -2.491986 0.698118
O 1.110725 -2.506716 -1.009169
O -4.226530 -0.020738 0.006996
O -3.011569 -1.925896 0.334843
N -0.706200 -0.504122 0.037933
N 1.814882 -1.911938 -0.116753
N -3.114634 -0.669518 0.138483
C 0.454942 1.683482 -0.026507
C 0.459122 0.231380 -0.024343
C 1.733018 -0.431351 -0.039907
C 1.693937 2.398609 -0.023132
C -0.821364 2.338966 -0.021130
C 2.930653 0.281447 0.003169
C 2.908007 1.708430 0.002037
C -1.848952 0.167289 0.053222
C -1.994654 1.586393 0.004961
H -0.863953 3.433158 -0.033188
H 1.677898 3.494120 -0.032540
H 3.878365 -0.264063 0.028623
H 3.854792 2.256558 0.016616
H -2.990235 2.032699 0.002567


