%chk=000058745.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058745

1 1
 O    1.905800      0.8004000     -8.9999996E-03
 O    2.261400      -1.486000      1.2700000E-02
 N   -3.605100     -0.1769000      2.4000001E-03
 N    4.099900     -6.1400000E-02 -1.3000000E-03
 C   -2.097900      9.0099998E-02 -7.9999998E-04
 C   -4.306100      0.9760000      0.7151000    
 C   -3.868000      -1.498500      0.7190000    
 C   -4.176100     -0.2808000      -1.410200    
 C   -1.493800      0.2079000       1.205800    
 C   -1.494800      0.1862000      -1.210100    
 C  -0.1203000      0.4513000       1.203000    
 C  -0.1213000      0.4295000      -1.213000    
 C   0.5661000      0.5620000     -6.3000000E-03
 C    2.730300     -0.3483000      1.8000000E-03
 C    5.074100      -1.143300      8.8000000E-03
 C    4.645800       1.291900     -1.7999999E-02
 H   -4.030800       1.913400      0.2210000    
 H   -5.386500      0.8151000      0.6393000    
 H   -4.023100      0.9907000       1.771100    
 H   -3.592100      -1.412600       1.773600    
 H   -4.938600      -1.716200      0.6476000    
 H   -3.290400      -2.286300      0.2250000    
 H   -3.721800      -1.130900      -1.929700    
 H   -5.252400     -0.4681000      -1.321400    
 H   -4.035200      0.6697000      -1.935100    
 H   -2.003500      0.1250000       2.157900    
 H   -1.963400      9.4200000E-02  -2.179500    
 H   0.4094000      0.5539000       2.146300    
 H   0.4085000      0.5154000      -2.158000    
 H    4.590200      -2.123000      2.2500001E-02
 H    5.701500      -1.043900      0.8993000    
 H    5.695500      -1.065900     -0.8882000    
 H    5.267100       1.429200      0.8718000    
 H    3.863800       2.053400     -2.3900000E-02
 H    5.261100       1.409400     -0.9149000    


%chk=000058745-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058745

1 1
O 1.997167 0.228377 -0.367841
O 2.660890 -0.875478 1.639162
N -3.725054 -0.106302 -0.025967
N 4.237359 0.038174 0.156331
C -2.199255 -0.021317 -0.110377
C -4.224051 0.726215 1.165027
C -4.150503 -1.571693 0.154740
C -4.412656 0.424335 -1.282834
C -1.441189 -0.476844 0.991274
C -1.554248 0.494648 -1.255167
C -0.034674 -0.424954 0.965994
C -0.148456 0.548988 -1.287163
C 0.617705 0.092909 -0.186065
C 2.979207 -0.265062 0.589791
C 5.382783 -0.391346 0.987201
C 4.567816 0.760785 -1.087174
H -3.903150 1.768123 1.020436
H -5.322590 0.662291 1.209876
H -3.787475 0.334013 2.093143
H -3.714479 -1.966951 1.081838
H -5.249580 -1.621025 0.205374
H -3.776604 -2.150737 -0.702213
H -4.103196 -0.173333 -2.152061
H -5.500136 0.332761 -1.141286
H -4.148680 1.481531 -1.428958
H -1.914867 -0.880826 1.892916
H -2.101705 0.857035 -2.127782
H 0.552936 -0.783574 1.811385
H 0.370932 0.943999 -2.164232
H 5.012275 -0.922633 1.875159
H 5.969016 0.489315 1.306804
H 6.038558 -1.064819 0.406126
H 5.152119 1.668012 -0.846421
H 3.653993 1.052396 -1.617442
H 5.179091 0.115587 -1.744993


