%chk=000088994.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088994

0 1
 I   0.1895000      -3.168500     -0.6006000    
 I    2.703900       2.374800     -0.1503000    
 I   -3.365500       1.748700      8.2400002E-02
 O    4.245400      -1.829600      0.5726000    
 O   -3.038800      -1.603100      -1.353900    
 O  -0.4288000       3.522800       1.390600    
 O  -0.5572000       3.950000     -0.8382000    
 N    2.386400     -0.8156000     -0.4670000    
 N   -2.908300      -1.863900      0.9465000    
 C    1.110300     -0.2468000     -0.3435000    
 C   -1.291100     -0.4952000     -0.2510000    
 C  -2.1900000E-02  -1.061000     -0.3725000    
 C   0.9734000       1.133000     -0.1930000    
 C  -0.2957000       1.698800     -7.1500003E-02
 C   -1.428000      0.8847000     -0.1004000    
 C    2.921700      -1.054200      -1.839600    
 C    3.155900      -1.257500      0.6591000    
 C   -2.478800      -1.350400     -0.2780000    
 C  -0.4390000       3.147100      8.5900001E-02
 C    2.615500     -0.9728000       2.041800    
 C   -4.049000      -2.741200       1.080700    
 H    3.149000      -2.118300      -1.949500    
 H    3.854600     -0.4920000      -1.942700    
 H    2.204500     -0.7348000      -2.600700    
 H    1.598800      -1.356700       2.150000    
 H    2.631200      9.9299997E-02   2.244900    
 H    3.242400      -1.472700       2.786900    
 H   -2.380600      -1.641000       1.785700    
 H   -3.695700      -3.773700       1.024200    
 H   -4.773300      -2.556200      0.2837000    
 H   -4.509800      -2.562600       2.054900    
 H  -0.5254000       4.493600       1.492500    


%chk=000088994-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088994

0 1
I 0.212974 -3.212883 -0.490042
I 2.758741 2.367628 -0.142838
I -3.363725 1.774190 0.164674
O 4.419378 -1.778780 0.396954
O -3.069775 -1.669869 -1.384745
O -0.402132 3.605267 1.451834
O -0.523724 4.016343 -0.836885
N 2.464187 -0.860444 -0.472105
N -3.021258 -1.856421 0.945799
C 1.169290 -0.280915 -0.289521
C -1.301727 -0.524129 -0.160135
C -0.006525 -1.084295 -0.288592
C 1.008275 1.126867 -0.146543
C -0.271164 1.717079 -0.007833
C -1.414797 0.880751 -0.017432
C 2.951715 -1.007913 -1.863476
C 3.278054 -1.277828 0.603867
C -2.544942 -1.401708 -0.265299
C -0.412867 3.215476 0.111327
C 2.701874 -1.091372 2.002649
C -4.211765 -2.709097 1.052910
H 3.951363 -1.467034 -1.808343
H 3.026545 -0.022636 -2.357585
H 2.277516 -1.661183 -2.445416
H 1.770303 -1.670981 2.133184
H 2.478010 -0.029676 2.210445
H 3.449236 -1.448430 2.725727
H -2.530181 -1.578016 1.797466
H -3.965820 -3.671591 1.536594
H -4.577100 -2.903652 0.032331
H -5.009491 -2.205838 1.629187
H -0.494865 4.596088 1.511845


