%chk=000131630.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131630

0 1
 O    5.052100       1.014500      -1.182200    
 O   -9.525000     -0.4614000      4.7600001E-02
 N   0.1898000     -2.7500000E-02 -0.2590000    
 N    3.079600      6.7599997E-02 -0.3995000    
 N   -6.095600      -1.221200      0.5286000    
 N   -7.446500      -1.267500      0.5825000    
 C   0.8904000       1.195600     -0.6606000    
 C   0.9875000      -1.229500     -3.5000001E-03
 C    2.239800      0.8616000      -1.292800    
 C    2.383500     -0.8581000      0.4969000    
 C   -1.199200     -5.1399998E-02 -0.1605000    
 C    4.465100      0.2295000     -0.4338000    
 C   -6.314300       1.134500     -0.1735000    
 C   -4.021400     -9.9500000E-02  3.7000000E-02
 C   -1.934100       1.108700      0.1810000    
 C   -1.934600      -1.236600     -0.3990000    
 C   -5.517400     -0.1240000      0.1407000    
 C    5.260700     -0.6321000      0.5158000    
 C   -7.632800      0.7202000     -0.8077000    
 C   -3.325300       1.084900      0.2783000    
 C   -3.325900      -1.260300     -0.3016000    
 C   -6.533800       1.951900       1.101100    
 C    6.731100     -0.3500000      0.4361000    
 C   -8.299400     -0.3656000     -8.7000001E-03
 C    7.522100      -1.061700     -0.4598000    
 C    7.292900      0.6208000       1.258600    
 C    8.890100     -0.7995000     -0.5342000    
 C    8.660900      0.8830000       1.184200    
 C    9.459500      0.1730000      0.2879000    
 H   0.3019000       1.758700      -1.395200    
 H    1.038700       1.832900      0.2197000    
 H   0.5148000      -1.860700      0.7588000    
 H    1.064400      -1.814600     -0.9280000    
 H    2.099400      0.2694000      -2.205500    
 H    2.759100       1.782700      -1.578300    
 H    2.315600     -0.3585000       1.471200    
 H    2.969700      -1.770200      0.6345000    
 H   -5.762900       1.747200     -0.8960000    
 H   -1.423700       2.047400      0.3851000    
 H   -1.427500      -2.156700     -0.6807000    
 H    5.089000      -1.687700      0.2748000    
 H    4.906800     -0.4696000       1.540800    
 H   -7.460400      0.3212000      -1.814800    
 H   -8.311500       1.575600     -0.8939000    
 H   -3.821100       2.013200      0.5325000    
 H   -3.849000      -2.191100     -0.5038000    
 H   -7.060300       2.884000      0.8692000    
 H   -7.137500       1.403300       1.832800    
 H   -5.602600       2.214800       1.607100    
 H   -7.818900      -2.076300       1.069600    
 H    7.089500      -1.820000      -1.106800    
 H    6.680200       1.181500       1.959200    
 H    9.511800      -1.352000      -1.232600    
 H    9.104200       1.640600       1.823800    
 H    10.52460      0.3774000      0.2297000    


%chk=000131630-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131630

0 1
O 5.030299 0.678714 -1.664356
O -9.620506 -0.163018 0.626741
N 0.199305 -0.312079 -0.683620
N 3.107880 -0.309801 -0.823104
N -6.099778 -1.122947 0.580883
N -7.485300 -1.055028 0.818580
C 0.942988 0.830759 -1.259907
C 0.982320 -1.517632 -0.360163
C 2.282124 0.363921 -1.851799
C 2.385545 -1.146710 0.162325
C -1.183207 -0.240674 -0.478363
C 4.480322 -0.061884 -0.793618
C -6.264025 1.319415 0.074578
C -4.040451 -0.070538 -0.051246
C -1.876174 1.006309 -0.569942
C -1.964261 -1.404874 -0.176364
C -5.496449 -0.001701 0.190105
C 5.263752 -0.764659 0.338358
C -7.713282 1.045343 -0.401087
C -3.264870 1.080535 -0.364161
C -3.345066 -1.313705 0.034503
C -6.240251 2.058169 1.443680
C 6.670702 -0.232726 0.560272
C -8.379902 -0.069291 0.395473
C 7.635052 -0.241477 -0.479726
C 7.048639 0.255042 1.836035
C 8.947277 0.222548 -0.244018
C 8.362131 0.721570 2.074881
C 9.317223 0.704542 1.033776
H 0.344713 1.286379 -2.072480
H 1.125290 1.619195 -0.497986
H 0.471438 -2.080572 0.439996
H 1.075968 -2.195827 -1.235843
H 2.101226 -0.315816 -2.708472
H 2.862686 1.221736 -2.229905
H 2.278628 -0.611942 1.129188
H 2.942440 -2.082261 0.353882
H -5.779770 1.965878 -0.678153
H -1.326955 1.929142 -0.777209
H -1.494838 -2.392845 -0.139076
H 5.305503 -1.845237 0.082005
H 4.692519 -0.697013 1.282738
H -7.715474 0.735048 -1.465707
H -8.340515 1.948793 -0.321136
H -3.738990 2.065334 -0.436371
H -3.925340 -2.213782 0.258568
H -6.764862 3.028274 1.366496
H -6.741779 1.459703 2.225615
H -5.204145 2.247659 1.774749
H -7.869786 -1.894085 1.257628
H 7.348822 -0.589402 -1.476987
H 6.311686 0.272223 2.649336
H 9.680654 0.213397 -1.058285
H 8.636454 1.095793 3.067720
H 10.336487 1.064507 1.214071


