%chk=000161874.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161874

0 1
 O  -0.4590000       1.011400     -0.3776000    
 O    1.155900      0.2316000       1.796700    
 O    2.555700      0.4210000      -1.581900    
 O   -3.676400      0.9537000      0.8170000    
 O    4.359100     -0.3793000      0.3709000    
 O  -0.6529000      -3.159400      -1.013000    
 N   -2.034600     -0.6458000       1.002500    
 C   8.9900002E-02 -0.3070000     -0.2702000    
 C    1.424900     -0.1692000      0.4549000    
 C  -0.8456000      -1.276100      0.4686000    
 C    2.372600      0.8308000     -0.2218000    
 C   -1.829900       1.010100     -0.7520000    
 C   -2.617000      0.4684000      0.4285000    
 C    3.758300      0.9123000      0.4146000    
 C   -1.369900      -2.339700     -0.4488000    
 C   -2.231200       2.437300      -1.088500    
 H   0.2786000     -0.6629000      -1.290900    
 H    1.894100      -1.159400      0.4965000    
 H  -0.3565000      -1.801700       1.296200    
 H    1.941100       1.837800     -0.2245000    
 H   -1.989300      0.3700000      -1.628000    
 H   -2.505200      -1.082900       1.789300    
 H    3.700900       1.242300       1.456100    
 H    4.400500       1.596300     -0.1495000    
 H   -2.460200      -2.366000     -0.6232000    
 H   -1.607700       2.828900      -1.899300    
 H   -3.280600       2.496200      -1.393700    
 H   -2.086100       3.100300     -0.2280000    
 H   0.7264000       1.103700       1.764200    
 H    2.970600     -0.4587000      -1.572900    
 H    5.238400     -0.2972000      0.7778000    


%chk=000161874-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161874

0 1
O -0.574341 1.216030 -0.002579
O 1.321505 0.661540 1.789986
O 2.383859 -0.078333 -1.751600
O -4.107688 0.410325 -0.535313
O 4.281143 -0.712703 -0.022617
O 0.182313 -3.309094 0.810464
N -2.361080 -0.830163 0.350290
C -0.019025 -0.144964 -0.111920
C 1.386290 -0.060955 0.511217
C -0.949081 -1.126253 0.660906
C 2.372928 0.635146 -0.466583
C -1.849632 1.356723 -0.736029
C -2.870103 0.284401 -0.301426
C 3.791986 0.678046 0.116583
C -0.618110 -2.556740 0.212975
C -2.373996 2.771846 -0.487478
H 0.068894 -0.430890 -1.180832
H 1.766500 -1.067706 0.757538
H -0.741782 -1.021089 1.744082
H 2.011590 1.656850 -0.679844
H -1.651682 1.207944 -1.820782
H -3.074916 -1.483860 0.688920
H 3.749407 0.989048 1.177153
H 4.426333 1.370861 -0.470582
H -1.146447 -2.870133 -0.725048
H -1.663029 3.513983 -0.887198
H -3.349833 2.893517 -0.984198
H -2.508373 2.950271 0.592900
H 0.709928 1.434063 1.645541
H 3.071505 -0.794094 -1.651687
H 5.199837 -0.796819 0.327162


