%chk=000027486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027486

0 1
 O    4.843200       2.037600     -9.9399999E-02
 O    5.632400     -0.6191000      0.1006000    
 N   -4.749500      0.8159000      6.8099998E-02
 N   -1.999600      5.8600001E-02 -8.6900003E-02
 N   0.2687000      0.7139000     -9.0300001E-02
 N  -0.3427000      -1.612200      6.0600001E-02
 N    1.309700      -3.280800      0.2074000    
 C   -4.370600     -0.6022000      3.9099999E-02
 C   -3.806500       1.601100     -0.7376000    
 C   -2.963500     -0.8063000      0.6052000    
 C   -2.379900       1.470100     -0.1985000    
 C   -6.115400      0.9920000     -0.4240000    
 C  -0.6462000     -0.2937000     -3.7200000E-02
 C   -7.047100      0.2147000      0.4494000    
 C    1.571100      0.3827000     -4.3600000E-02
 C    1.983900     -0.9561000      5.7300001E-02
 C   0.9699000      -1.908700      0.1054000    
 C    2.557300       1.364900     -9.3999997E-02
 C    3.348500      -1.290500      0.1055000    
 C    3.916400       1.040300     -4.6599999E-02
 C    4.312700     -0.2886000      5.3300001E-02
 C   -7.838600     -0.7691000      7.4000000E-03
 C    5.260900       2.600300       1.142800    
 C    6.285000     -0.8649000      -1.144100    
 H   -4.412600     -0.9943000     -0.9864000    
 H   -5.033500      -1.221000      0.6535000    
 H   -4.085300       2.661700     -0.7144000    
 H   -3.832400       1.279500      -1.787700    
 H   -2.947600     -0.5812000       1.679300    
 H   -2.715500      -1.867800      0.4881000    
 H   -1.716600       2.004300     -0.8898000    
 H   -2.297300       1.951700      0.7840000    
 H   -6.401400       2.049200     -0.3642000    
 H   -6.206000      0.6882000      -1.475000    
 H   -7.091800      0.4800000       1.503200    
 H    2.265400       2.411100     -0.1732000    
 H    3.686600      -2.319400      0.1931000    
 H   -8.499500      -1.291100      0.6907000    
 H   -7.841200      -1.071000      -1.034100    
 H   0.5280000      -3.923200      0.2662000    
 H    2.128400      -3.613000     -0.2864000    
 H    5.720900       1.835900       1.776900    
 H    4.412400       3.058100       1.661000    
 H    6.003600       3.375500      0.9351000    
 H    6.251400      2.5900001E-02  -1.779200    
 H    5.821000      -1.712000      -1.659200    
 H    7.330900      -1.109600     -0.9399000    


%chk=000027486-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027486

0 1
O 4.745205 2.115248 -0.416322
O 5.594623 -0.672442 -0.326508
N -4.768259 0.668758 0.047872
N -2.055974 0.105876 0.783381
N 0.165728 0.770581 0.379604
N -0.418827 -1.585081 0.727488
N 1.146800 -3.296575 0.691366
C -4.264115 -0.728245 0.052564
C -3.680662 1.619110 -0.298236
C -3.112297 -0.880624 1.065207
C -2.520891 1.501762 0.710049
C -5.967973 0.843359 -0.809218
C -0.723731 -0.232053 0.620659
C -7.176870 0.120015 -0.251325
C 1.487109 0.395006 0.219789
C 1.921909 -0.982071 0.300205
C 0.870657 -1.950378 0.574603
C 2.472607 1.405670 -0.012879
C 3.294099 -1.304317 0.100170
C 3.819274 1.075388 -0.172682
C 4.237477 -0.304104 -0.148489
C -8.006344 -0.676816 -0.969864
C 5.792916 2.266519 0.621529
C 6.128573 -0.387403 -1.679974
H -3.900351 -1.032633 -0.962699
H -5.093276 -1.403261 0.330932
H -4.085510 2.648160 -0.266733
H -3.283031 1.435666 -1.329217
H -3.509890 -0.710132 2.087272
H -2.668257 -1.885685 1.015060
H -1.667058 2.130998 0.416297
H -2.880999 1.820204 1.710106
H -6.187463 1.930852 -0.839041
H -5.789180 0.519043 -1.866447
H -7.368815 0.300254 0.816758
H 2.160823 2.452563 -0.047589
H 3.662637 -2.336582 0.115453
H -8.888546 -1.143983 -0.517988
H -7.828349 -0.880621 -2.033594
H 0.370344 -3.923883 0.889943
H 2.090421 -3.664208 0.628577
H 6.357422 1.326305 0.754237
H 5.330700 2.568490 1.580372
H 6.452950 3.067502 0.255365
H 6.038289 0.687356 -1.919573
H 5.587299 -0.987120 -2.436606
H 7.186803 -0.689065 -1.648373


