%chk=000084797.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084797

0 1
 O   0.8165000       1.836400      8.8900000E-02
 O   -1.627900       2.474900      2.3499999E-02
 O   -3.181500      -2.637000     -3.8199998E-02
 O   -5.648100      -1.987500     -0.1018000    
 O    6.804300      0.7007000      0.2519000    
 N  -0.7474000      -3.509400      2.5300000E-02
 N   -4.059500       3.346500     -4.1200001E-02
 C  -0.9834000      0.2217000      3.2600001E-02
 C   -1.384100      -1.116000      1.6700000E-02
 C   -3.421400      0.9529000     -3.1500001E-02
 C   -3.822100     -0.3848000     -4.7100000E-02
 C   -1.987400       1.305000      8.8000000E-03
 C   -2.818200      -1.468100     -2.3300000E-02
 C   0.3789000      0.5420000      7.1599998E-02
 C    1.333900     -0.4749000      9.4599999E-02
 C  -0.4225000      -2.133300      3.9299998E-02
 C   0.9340000      -1.809600      7.8299999E-02
 C   -4.383000       1.970200     -5.4400001E-02
 C    2.751400     -0.1711000      0.1353000    
 C   -5.184500     -0.7052000     -8.5100003E-02
 C   -5.739500       1.646500     -9.2100002E-02
 C   -6.139500      0.3117000     -0.1073000    
 C    3.463300     -2.1000000E-02  -1.052600    
 C    3.395600     -2.9700000E-02   1.362200    
 C    4.826500      0.2718000      -1.013400    
 C    4.758800      0.2631000       1.401600    
 C    5.474300      0.4138000      0.2137000    
 C    7.603200      0.2213000     -0.8285000    
 C    9.009400     -3.1199999E-02 -0.3277000    
 H    1.680600      -2.602200      9.6000001E-02
 H   -6.499400       2.424200     -0.1101000    
 H   -7.199000      7.0900001E-02 -0.1366000    
 H    2.971200     -0.1223000      -2.017000    
 H    2.852100     -0.1437000       2.297100    
 H  -1.0100000E-02  -4.201800      4.2500000E-02
 H   -1.709800      -3.814100     -3.4000000E-03
 H   7.6300003E-02   2.456500      0.1564000    
 H   -3.097400       3.652400     -1.5100000E-02
 H   -4.797700       4.038000     -5.9700001E-02
 H    5.339900      0.4087000      -1.960400    
 H    5.258100      0.3729000       2.360400    
 H   -4.914600      -2.619600     -8.3800003E-02
 H    7.222000     -0.7264000      -1.229200    
 H    7.622700      0.9748000      -1.623700    
 H    9.654100     -0.3906000      -1.134800    
 H    9.441300      0.8856000      8.6999997E-02
 H    9.004600     -0.7729000      0.4779000    


%chk=000084797-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084797

0 1
O 0.836090 1.617629 -0.360111
O -1.454269 2.442470 -0.527902
O -3.506820 -2.623797 0.512230
O -5.829590 -1.777701 0.344780
O 7.016558 -0.181406 0.178070
N -1.074206 -3.551226 0.702030
N -3.876174 3.381042 -0.712665
C -1.047532 0.114112 -0.056859
C -1.563507 -1.202410 0.223229
C -3.393977 1.022939 -0.233928
C -3.900781 -0.299205 0.037966
C -1.961261 1.233229 -0.281175
C -2.992121 -1.419731 0.266045
C 0.363137 0.357064 -0.106190
C 1.302408 -0.720067 0.135948
C -0.631089 -2.273922 0.447280
C 0.770559 -1.995519 0.393277
C -4.319630 2.105026 -0.451915
C 2.773735 -0.515200 0.133887
C -5.309293 -0.534415 0.089277
C -5.729976 1.830428 -0.392534
C -6.211686 0.550093 -0.130046
C 3.412836 0.447761 -0.694339
C 3.608242 -1.323776 0.965061
C 4.815393 0.586992 -0.718027
C 5.003904 -1.190248 0.960178
C 5.619916 -0.235026 0.110961
C 7.713584 0.813864 -0.664450
C 9.205439 0.663943 -0.381043
H 1.461646 -2.835238 0.528831
H -6.434569 2.653884 -0.558826
H -7.284757 0.342639 -0.084837
H 2.801671 1.096448 -1.324177
H 3.153420 -2.041987 1.656422
H -0.413683 -4.308845 0.859662
H -2.099659 -3.686223 0.723794
H -0.032777 2.233388 -0.476079
H -2.851969 3.516660 -0.741241
H -4.537539 4.138980 -0.865226
H 5.262836 1.335872 -1.377849
H 5.637448 -1.799429 1.611837
H -4.993115 -2.410104 0.471949
H 7.483149 0.616814 -1.731465
H 7.352675 1.830120 -0.405222
H 9.780900 1.387959 -0.986066
H 9.419794 0.849999 0.685048
H 9.549639 -0.353782 -0.631990


