%chk=000044520.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044520

1 1
 O   -3.915300      0.5206000      0.8974000    
 N    3.739100     -1.3500000E-02  0.4121000    
 C    2.674700      0.4630000     -0.5135000    
 C    1.300500      3.9999999E-02  2.0500001E-02
 C    3.620100      -1.525000      0.6400000    
 C    5.128700      0.2777000     -0.1667000    
 C    3.627200      0.6881000       1.770800    
 C   9.9500000E-02  0.4793000     -0.8249000    
 C    2.838400       1.963900     -0.7043000    
 C   -1.218900      6.2300000E-02 -0.1664000    
 C    3.796900      -2.243400     -0.6799000    
 C   -2.423400      0.5337000     -0.9863000    
 C   -3.723500      9.5100001E-02 -0.3610000    
 C   -4.743300     -0.6531000     -0.8311000    
 C   -5.675300     -0.7091000      0.2325000    
 C   -5.125300      2.0199999E-02   1.260900    
 H    2.836400      4.9999999E-03  -1.495600    
 H    1.214700      -1.048300      7.9499997E-02
 H    1.127800      0.4354000       1.025400    
 H    4.433500      -1.808200       1.320500    
 H    2.690000      -1.768400       1.158900    
 H    5.127200      9.8499998E-02  -1.245500    
 H    5.395100       1.318500      4.0399998E-02
 H    5.860300     -0.3644000      0.3343000    
 H    4.457700      0.3274000       2.388600    
 H    3.734200       1.768300       1.658800    
 H    2.694700      0.4170000       2.267600    
 H   0.1745000      4.0700000E-02  -1.826900    
 H   0.1023000       1.568500     -0.9434000    
 H    3.843600       2.284300     -0.9857000    
 H    2.507100       2.544300      0.1623000    
 H    2.199600       2.290100      -1.534600    
 H   -1.270200      0.4813000      0.8464000    
 H   -1.248300      -1.029500     -5.9000000E-02
 H    3.792600      -3.323000     -0.4857000    
 H    2.978300      -2.069300      -1.382600    
 H    4.747000      -2.036600      -1.177900    
 H   -2.359800      0.1346000      -2.005700    
 H   -2.422200       1.627600      -1.064600    
 H   -4.829800      -1.110000      -1.806300    
 H   -6.628500      -1.217500      0.2478000    
 H   -5.450900      0.2651000       2.261400    


%chk=000044520-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044520

1 1
O -4.070353 0.583895 0.801801
N 3.865945 -0.016424 0.438474
C 2.658136 0.572396 -0.417693
C 1.285325 0.216880 0.199778
C 3.762756 -1.564144 0.586505
C 5.194372 0.317334 -0.242174
C 3.888950 0.571211 1.847021
C 0.100617 0.548989 -0.747913
C 2.819725 2.085320 -0.651109
C -1.240542 0.043964 -0.169659
C 3.697180 -2.350091 -0.726529
C -2.451559 0.426857 -1.062927
C -3.767033 0.027704 -0.466309
C -4.817844 -0.779523 -0.869660
C -5.826046 -0.735967 0.173291
C -5.342217 0.094918 1.165654
H 2.767420 0.048375 -1.385575
H 1.224225 -0.863295 0.428775
H 1.134962 0.765343 1.149904
H 4.654332 -1.855694 1.169790
H 2.877503 -1.763356 1.210047
H 5.127083 0.097191 -1.317148
H 5.427443 1.380665 -0.096465
H 5.988891 -0.293462 0.214009
H 4.774247 0.184269 2.375586
H 3.947521 1.666847 1.788948
H 2.979226 0.272883 2.386398
H 0.274268 0.090898 -1.743921
H 0.030192 1.642391 -0.905469
H 3.783738 2.362695 -1.106245
H 2.666948 2.676452 0.268372
H 2.040902 2.400147 -1.364797
H -1.399376 0.473773 0.838074
H -1.213285 -1.057004 -0.047110
H 3.708834 -3.424846 -0.473025
H 2.770092 -2.166094 -1.294018
H 4.564250 -2.167198 -1.382770
H -2.362643 -0.054863 -2.054271
H -2.435128 1.522718 -1.236640
H -4.875437 -1.336623 -1.803063
H -6.783383 -1.252893 0.177499
H -5.723235 0.438562 2.123066


