%chk=000060165.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060165

0 1
 O    3.542600     -0.8875000      0.1454000    
 O   -2.416300      -3.100500     -2.8899999E-02
 N   -2.984600       1.958900     -8.0799997E-02
 N    1.162700      0.6016000      0.3021000    
 C   -3.389300      0.7143000     -0.7496000    
 C   -4.127800       2.866800      8.8600002E-02
 C   -4.473900     -1.2800000E-02  4.6700001E-02
 C   -5.236600       2.210200      0.9122000    
 C   -5.678300      0.8884000      0.2940000    
 C   -1.914700       2.617600     -0.8295000    
 C  -0.6489000       1.757400     -0.8963000    
 C  -6.8899997E-02   1.372700      0.4643000    
 C    1.101400     -0.7987000      0.1802000    
 C    2.394600       1.268800      0.1709000    
 C    2.313100      -1.511700      0.1113000    
 C    3.565600      0.4909000      0.1024000    
 C  -8.6900003E-02  -1.542400      0.1077000    
 C    2.542800       2.662200      8.9000002E-02
 C    2.340900      -2.905900      4.8000002E-03
 C  -6.3400000E-02  -2.937200     -4.1999999E-03
 C    4.831000       1.075300     -1.2900000E-02
 C    1.148700      -3.618500     -5.1199999E-02
 C    3.806900       3.250700     -3.1700000E-02
 C    4.949800       2.458900     -7.8000002E-02
 C   -1.312800      -3.679700     -6.8899997E-02
 C   -1.297800      -5.199600     -0.1877000    
 H   -3.762600      0.9245000      -1.761000    
 H   -2.564400      1.1800000E-02 -0.8586000    
 H   -3.807100       3.774800      0.6137000    
 H   -4.527900       3.177600     -0.8856000    
 H   -4.062400     -0.3471000       1.007700    
 H   -4.791600     -0.9112000     -0.4946000    
 H   -6.094200       2.888400      0.9860000    
 H   -4.879300       2.033800       1.934800    
 H   -6.192000       1.082000     -0.6557000    
 H   -6.395600      0.3860000      0.9521000    
 H   -2.237900       2.868400      -1.848200    
 H   -1.650800       3.562500     -0.3373000    
 H  -0.8045000      0.8708000      -1.520400    
 H   9.8800004E-02   2.340400      -1.450200    
 H  -0.8006000      0.8202000       1.064600    
 H   0.1057000       2.273000       1.066700    
 H   -1.047900      -1.048200      0.1595000    
 H    1.688800       3.332500      0.1148000    
 H    3.288300      -3.436400     -3.9700001E-02
 H    5.722800      0.4559000     -5.7300001E-02
 H    1.209900      -4.698700     -0.1357000    
 H    3.894900       4.332100     -8.9500003E-02
 H    5.928900       2.919000     -0.1704000    
 H  -0.8119000      -5.642700      0.6854000    
 H  -0.8021000      -5.502000      -1.113800    
 H   -2.329000      -5.565600     -0.2218000    


%chk=000060165-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060165

0 1
O 3.605562 -0.885874 0.354630
O -2.517923 -2.823845 -0.167272
N -2.987454 1.791565 -0.255146
N 1.216414 0.692766 0.231250
C -3.603258 0.747828 -1.122263
C -4.031092 2.652549 0.362696
C -4.578399 -0.143201 -0.327245
C -5.009041 1.818856 1.214218
C -5.666521 0.709380 0.361641
C -1.955254 2.587590 -0.967624
C -0.611848 1.836846 -1.106254
C -0.018946 1.497692 0.282540
C 1.136066 -0.721572 0.180862
C 2.484368 1.321104 0.129876
C 2.338712 -1.494683 0.248681
C 3.668403 0.530650 0.198168
C -0.081219 -1.425383 0.078753
C 2.650371 2.720868 -0.026266
C 2.317615 -2.897310 0.235034
C -0.120732 -2.849031 0.065618
C 4.948750 1.091752 0.134346
C 1.088059 -3.583614 0.149780
C 3.940629 3.299383 -0.083481
C 5.094734 2.493787 -0.001616
C -1.456503 -3.512515 -0.053883
C -1.530279 -5.037638 -0.043168
H -4.149679 1.228745 -1.978217
H -2.804651 0.118974 -1.554549
H -3.527845 3.408452 0.995299
H -4.612705 3.208076 -0.421541
H -4.005597 -0.717766 0.422796
H -5.031445 -0.882626 -1.014155
H -5.776352 2.487235 1.651206
H -4.447538 1.358285 2.050295
H -6.316248 1.177307 -0.407865
H -6.317709 0.072230 0.989655
H -2.305472 2.907070 -1.982100
H -1.784333 3.516002 -0.385916
H -0.747998 0.905939 -1.687560
H 0.094528 2.465784 -1.682593
H -0.783447 0.959265 0.867546
H 0.192821 2.428030 0.840909
H -1.039680 -0.904590 0.008260
H 1.775325 3.370371 -0.108881
H 3.271386 -3.428971 0.297063
H 5.814018 0.425264 0.197829
H 1.082463 -4.677159 0.143336
H 4.033198 4.384586 -0.197865
H 6.093232 2.938963 -0.046170
H -1.102635 -5.452647 0.888184
H -0.964336 -5.469144 -0.889675
H -2.584314 -5.343623 -0.123766


