%chk=000080789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080789

0 1
 O    7.312800       1.995600      0.5037000    
 O   -6.507500      -1.012300      0.5332000    
 O   -4.502400      -1.910600       1.115400    
 N   -2.500300     -0.7436000     -0.4180000    
 N    3.055700      -1.503100     -0.2456000    
 C   -1.107300     -0.9344000     -0.3742000    
 C    1.659000      -1.312800     -0.2882000    
 C   -3.312100      0.4051000     -0.2849000    
 C  -0.5172000      -1.963400      -1.111500    
 C  -0.3089000     -9.5399998E-02  0.4063000    
 C   0.8643000      -2.152400      -1.068600    
 C    1.072500     -0.2842000      0.4492000    
 C   -4.600400      0.3145000      0.2418000    
 C    4.133800     -0.6167000     -5.6299999E-02
 C   -2.808600       1.642000     -0.6876000    
 C   -5.385500       1.460800      0.3656000    
 C    5.309800      -1.065600      0.5469000    
 C    4.028500      0.7120000     -0.4707000    
 C   -3.593500       2.788500     -0.5637000    
 C   -4.881900       2.697800     -3.7099998E-02
 C    6.377700     -0.1880000      0.7350000    
 C    5.096300       1.589400     -0.2825000    
 C    6.270900       1.139500      0.3203000    
 C   -5.155500     -0.9630000      0.6715000    
 H   -3.020800      -1.592800     -0.6180000    
 H   -1.125200      -2.623800      -1.724700    
 H  -0.7406000      0.6961000       1.012900    
 H    1.309800      -2.956400      -1.648800    
 H    1.663700      0.3676000       1.086400    
 H    3.339600      -2.469800     -0.3778000    
 H   -1.818600       1.741600      -1.123800    
 H   -6.388000       1.426700      0.7839000    
 H    5.405000      -2.097500      0.8754000    
 H    3.134400       1.084900     -0.9628000    
 H   -3.203600       3.751000     -0.8816000    
 H   -5.492100       3.591000      6.0899999E-02
 H    7.287200     -0.5508000       1.206200    
 H    5.009200       2.621200     -0.6120000    
 H    8.042100       1.516800      0.9337000    
 H   -6.873400      -1.874400      0.8252000    


%chk=000080789-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080789

0 1
O 7.495967 2.006138 0.448890
O -6.735087 -0.986256 0.655246
O -4.771000 -2.161169 0.331527
N -2.542331 -0.762945 -0.132672
N 3.107142 -1.505842 -0.313164
C -1.123862 -0.866521 -0.190793
C 1.719485 -1.250138 -0.272645
C -3.330495 0.379915 -0.145569
C -0.556671 -1.980459 -0.866480
C -0.245144 0.035113 0.467371
C 0.835341 -2.168868 -0.907767
C 1.149733 -0.148320 0.425899
C -4.755029 0.273893 0.109753
C 4.182901 -0.608693 -0.091480
C -2.802856 1.677525 -0.443802
C -5.566352 1.445969 0.099362
C 5.427048 -1.129616 0.356537
C 4.090551 0.787120 -0.359235
C -3.631314 2.807689 -0.455926
C -5.021300 2.707909 -0.169307
C 6.546165 -0.289268 0.531275
C 5.199585 1.630927 -0.165398
C 6.430292 1.098376 0.281522
C -5.365302 -1.032771 0.361578
H -3.085193 -1.641145 -0.034814
H -1.217036 -2.691694 -1.375557
H -0.653365 0.858179 1.061915
H 1.247153 -3.028212 -1.451663
H 1.793476 0.538053 0.983039
H 3.371486 -2.469097 -0.524107
H -1.745930 1.778408 -0.701162
H -6.634432 1.329064 0.302348
H 5.517649 -2.200069 0.577349
H 3.160299 1.208644 -0.749881
H -3.195231 3.782801 -0.702514
H -5.655481 3.599408 -0.173717
H 7.497457 -0.716647 0.874187
H 5.132124 2.702980 -0.373092
H 8.307935 1.538781 0.765735
H -7.049475 -1.918061 0.802310


