%chk=000073820.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073820

0 1
 O   -3.286300       1.621600       1.312000    
 O   -3.155900      -1.953200      0.7255000    
 N   -1.199100     -0.3037000      2.7700000E-02
 N  -0.4413000     -0.4874000     -0.9492000    
 N    1.515100       1.402000     -0.4088000    
 C   -2.540400      9.7499996E-02 -0.3948000    
 C    1.798300      9.7499996E-02 -0.2334000    
 C    3.062900     -0.3356000      0.2175000    
 C   0.8314000     -0.8686000     -0.4981000    
 C    3.323900      -1.705600      0.3900000    
 C    1.090700      -2.230700     -0.3269000    
 C   -2.781200       1.467800      0.2000000    
 C   -3.510300     -0.9692000      7.6499999E-02
 C    4.036500      0.6364000      0.4846000    
 C    2.338500      -2.650000      0.1178000    
 C    3.747500       1.981300      0.3050000    
 C   -2.351700       2.653100     -0.6269000    
 C   -4.961100     -0.7616000     -0.2787000    
 C    2.482600       2.308400     -0.1399000    
 H   -2.637800      0.1585000      -1.487000    
 H    4.297300      -2.044600      0.7376000    
 H   0.3230000      -2.970400     -0.5396000    
 H    5.025800      0.3503000      0.8344000    
 H    2.544000      -3.707600      0.2521000    
 H    4.488200       2.746100      0.5068000    
 H   -2.578000       3.578200     -8.9500003E-02
 H   -1.275800       2.605600     -0.8095000    
 H   -2.896100       2.654800      -1.574400    
 H   -5.531800      -1.659800     -2.5699999E-02
 H   -5.366900      8.4299996E-02  0.2803000    
 H   -5.055300     -0.5842000      -1.353000    
 H    2.199100       3.343600     -0.2984000    


%chk=000073820-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073820

0 1
O -3.883513 1.179078 1.302919
O -3.462349 -2.389207 -0.454547
N -1.463112 -0.612190 0.081597
N -0.431063 -0.107183 -0.518373
N 1.759866 1.601427 -0.471420
C -2.743875 -0.065912 -0.490330
C 1.966778 0.266283 -0.153667
C 3.278324 -0.266987 0.156171
C 0.832018 -0.623123 -0.088333
C 3.418580 -1.646699 0.514822
C 0.999985 -1.969085 0.283489
C -3.082944 1.217239 0.336872
C -3.811599 -1.183260 -0.489366
C 4.389624 0.636829 0.107293
C 2.296494 -2.478470 0.578007
C 4.173634 1.975564 -0.222376
C -2.337955 2.465328 -0.091904
C -5.262210 -0.757046 -0.604885
C 2.838120 2.409430 -0.503152
H -2.578435 0.261568 -1.540064
H 4.416346 -2.039441 0.744234
H 0.116466 -2.615221 0.320214
H 5.395294 0.265392 0.335708
H 2.408806 -3.531924 0.854794
H 4.998068 2.693464 -0.268481
H -2.411285 3.240506 0.686299
H -1.278664 2.237450 -0.319253
H -2.784657 2.855295 -1.028463
H -5.887315 -1.626244 -0.860453
H -5.588070 -0.334989 0.364182
H -5.392407 0.040147 -1.361019
H 2.646851 3.456783 -0.766518


