%chk=000078324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078324

0 1
 O    1.453100      -2.577600      0.4897000    
 O  -0.8274000      -1.479200       1.247600    
 O    1.221300      -2.633200      -1.839000    
 N   -1.315700      0.4605000      2.1100000E-02
 C    2.781600       1.365500      0.1906000    
 C   0.9648000     -0.2321000      0.4451000    
 C    3.706000      0.2951000      0.1369000    
 C   -2.731900      0.4918000      3.2800000E-02
 C    1.414200       1.085000      0.3448000    
 C    1.873800      -1.284700      0.3922000    
 C   -3.410800       1.516300     -0.6057000    
 C    3.235900      -1.024300      0.2391000    
 C  -0.4609000     -0.4837000      0.6043000    
 C   -5.501700      0.5175000      7.8100003E-02
 C   -4.805400       1.529500     -0.5829000    
 C    3.252100       2.684700      8.8100001E-02
 C   -3.408800     -0.5205000      0.6936000    
 C    5.073300      0.5756000     -1.7600000E-02
 C   -4.803500     -0.5074000      0.7163000    
 C   -2.690900       2.612900      -1.321300    
 C    4.614300       2.945000     -6.5099999E-02
 C    5.523100       1.892400     -0.1178000    
 C   -6.992700      0.5312000      0.1025000    
 C    1.143500      -3.172800     -0.7433000    
 C   0.6928000      -4.587400     -0.5300000    
 H   0.7281000       1.925700      0.4244000    
 H    3.935200      -1.857800      0.2004000    
 H  -0.8859000       1.203700     -0.5198000    
 H   -5.354900       2.327100      -1.077400    
 H    2.560300       3.523600      0.1263000    
 H   -2.949800      -1.348200       1.211600    
 H    5.801700     -0.2315000     -6.1500002E-02
 H   -5.335800      -1.300000       1.235900    
 H   -2.037500       3.159200     -0.6328000    
 H   -2.097300       2.208600      -2.148000    
 H   -3.386300       3.342600      -1.750600    
 H    4.965000       3.970000     -0.1433000    
 H    6.583300       2.095600     -0.2371000    
 H   -7.397700      0.9557000     -0.8225000    
 H   -7.397700     -0.4824000      0.1933000    
 H   -7.349000       1.127000      0.9487000    
 H    1.491900      -5.161800     -5.5199999E-02
 H   0.4608000      -5.044000      -1.496300    
 H  -0.2089000      -4.597700      8.7300003E-02


%chk=000078324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078324

0 1
O 1.714085 -2.614531 -0.023670
O -0.703046 -1.539314 1.344140
O 0.175959 -2.257267 -1.758599
N -1.256451 0.278472 -0.050811
C 2.908619 1.456747 0.364556
C 1.085804 -0.224159 0.341239
C 3.878726 0.415470 0.096287
C -2.678579 0.315355 0.033077
C 1.527474 1.098192 0.481794
C 2.069031 -1.240103 0.068194
C -3.368950 1.219948 -0.833952
C 3.419470 -0.932255 -0.050769
C -0.363054 -0.572923 0.592451
C -5.526649 0.498404 0.158950
C -4.777053 1.288848 -0.748923
C 3.359179 2.809270 0.514868
C -3.408865 -0.493256 0.941712
C 5.263846 0.767253 -0.017142
C -4.813766 -0.394938 0.995136
C -2.615450 2.083267 -1.833255
C 4.715000 3.124223 0.398142
C 5.673503 2.094893 0.129128
C -7.037993 0.622965 0.242074
C 0.667209 -3.016572 -0.903042
C 0.285315 -4.441518 -0.605191
H 0.803337 1.882933 0.733372
H 4.129028 -1.738236 -0.263962
H -0.835015 0.899437 -0.744775
H -5.306578 1.980960 -1.416525
H 2.623766 3.595145 0.724347
H -2.870299 -1.193350 1.582335
H 5.998214 -0.020600 -0.220817
H -5.363081 -1.029324 1.701308
H -1.911680 2.783631 -1.338106
H -2.034033 1.474351 -2.554323
H -3.316603 2.697412 -2.421599
H 5.052607 4.159763 0.513186
H 6.733721 2.355529 0.040214
H -7.478305 0.889661 -0.735266
H -7.502463 -0.320640 0.578496
H -7.336482 1.410239 0.962066
H 1.177819 -5.057797 -0.411350
H -0.302936 -4.857462 -1.435722
H -0.328780 -4.442625 0.314229


