%chk=000145528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145528

1 1
 O    5.157700      0.2546000      0.2427000    
 N   -2.692200     -3.0400001E-02  0.3600000    
 C  -0.4172000      0.1109000     -0.6124000    
 C   -1.245900      2.8700000E-02  0.6770000    
 C    1.056100      0.1487000     -0.3861000    
 C    1.706300       1.372500     -0.2288000    
 C    1.784200      -1.039900     -0.3321000    
 C   -3.245200      -1.227400      0.1880000    
 C   -3.357800       1.116800      0.2650000    
 C    3.084600       1.408100     -1.7500000E-02
 C    3.162500      -1.004600     -0.1207000    
 C    3.812800      0.2194000      3.6699999E-02
 C   -4.597800      -1.313200     -0.1092000    
 C   -4.713300       1.091700     -3.0900000E-02
 C   -5.335800     -0.1386000     -0.2189000    
 C    5.840800     -0.9973000      0.2870000    
 H  -0.7222000      0.9951000      -1.187800    
 H  -0.6645000     -0.7396000      -1.261800    
 H   -1.071100      0.8974000       1.323600    
 H  -0.9881000     -0.8605000       1.265300    
 H    1.149900       2.305400     -0.2669000    
 H    1.287700      -1.999500     -0.4513000    
 H   -2.613200      -2.101800      0.2822000    
 H   -2.812200       2.039700      0.4183000    
 H    3.585600       2.364500      0.1049000    
 H    3.666400      -1.964500     -8.9299999E-02
 H   -5.071000      -2.278400     -0.2550000    
 H   -5.277100       2.014500     -0.1152000    
 H   -6.395700     -0.1819000     -0.4517000    
 H    5.773000      -1.526700     -0.6694000    
 H    5.500000      -1.612100       1.126900    
 H    6.900500     -0.7813000      0.4583000    


%chk=000145528-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145528

1 1
O 5.184863 0.298347 0.356659
N -2.721199 -0.020087 0.404171
C -0.452972 0.039634 -0.737095
C -1.232671 0.007149 0.614946
C 1.041478 0.074507 -0.474691
C 1.700452 1.306587 -0.203541
C 1.808606 -1.116218 -0.459372
C -3.367122 -1.228154 0.257287
C -3.409749 1.164344 0.258231
C 3.075822 1.347876 0.069355
C 3.193579 -1.096134 -0.189421
C 3.831962 0.143533 0.079614
C -4.737616 -1.275811 -0.031045
C -4.781262 1.163255 -0.030139
C -5.462007 -0.068647 -0.177934
C 6.040616 -0.898777 0.359943
H -0.771947 0.930922 -1.310862
H -0.725122 -0.853500 -1.330406
H -0.988713 0.897886 1.217320
H -0.951914 -0.886870 1.196026
H 1.136680 2.248065 -0.229315
H 1.327867 -2.077587 -0.681330
H -2.758385 -2.125676 0.386051
H -2.833897 2.083043 0.388909
H 3.594736 2.290456 0.265625
H 3.760149 -2.031386 -0.200313
H -5.225423 -2.247848 -0.133816
H -5.303286 2.117459 -0.131850
H -6.532448 -0.087657 -0.400176
H 6.041937 -1.387386 -0.632393
H 5.717579 -1.615774 1.137945
H 7.047210 -0.525250 0.592518


