%chk=000036383.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036383

0 1
 O    4.205100       3.004000     -0.5924000    
 O    4.250000      -3.440500      0.6277000    
 O   -5.663800     -0.8419000      0.6893000    
 O   -1.030800       3.101700      0.7527000    
 O   -2.925600       2.050800      0.4004000    
 N    2.572500     -0.2385000     -2.8300000E-02
 N   -3.035600     -0.3455000     -0.2527000    
 N   -1.673600       2.069500      0.4498000    
 C    1.163200     -0.2586000     -8.2800001E-02
 C    3.276400      0.9819000      0.3121000    
 C    3.335600      -1.434300     -0.3254000    
 C   0.4372000      0.8971000      0.2050000    
 C   -1.624200     -0.2991000     -0.1909000    
 C   0.4956000      -1.434700     -0.4245000    
 C  -0.9565000      0.8769000      0.1508000    
 C    3.546400       1.793600     -0.9434000    
 C    3.531400      -2.253500      0.9389000    
 C  -0.8982000      -1.454900     -0.4784000    
 C   -3.756300      -1.529400     -0.5983000    
 C   -5.248600      -1.244600     -0.6097000    
 H    2.804400       1.572600       1.105000    
 H    4.248200      0.7257000      0.7579000    
 H    2.934600      -2.029700      -1.153300    
 H    4.330000      -1.148900     -0.6969000    
 H   0.9336000       1.827300      0.4538000    
 H   0.9985000      -2.370000     -0.6423000    
 H    2.620000       2.058500      -1.461800    
 H    4.178100       1.246500      -1.651300    
 H    2.576100      -2.550400       1.382300    
 H    4.091000      -1.697200       1.698500    
 H   -1.373200      -2.394400     -0.7438000    
 H   -3.545600      0.5245000     -0.1831000    
 H   -3.556800      -2.316300      0.1389000    
 H   -3.467400      -1.889400      -1.592200    
 H   -5.506000     -0.4504000      -1.318400    
 H   -5.808300      -2.144500     -0.8817000    
 H    5.043100       2.766700     -0.1597000    
 H    5.111500      -3.174600      0.2635000    
 H   -5.184400     -2.8000001E-02  0.9172000    


%chk=000036383-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036383

0 1
O 4.327436 3.149530 -0.424003
O 4.193177 -3.628385 0.615655
O -5.510151 -1.253714 1.100829
O -0.970924 3.252942 0.417875
O -2.977107 2.242558 0.014693
N 2.608915 -0.223151 -0.004232
N -3.085919 -0.318346 -0.453974
N -1.660491 2.194995 0.132550
C 1.204746 -0.224649 -0.123758
C 3.335087 1.001135 0.369233
C 3.401359 -1.434336 -0.267983
C 0.435648 0.948642 0.043273
C -1.709535 -0.283116 -0.359654
C 0.483940 -1.432628 -0.424999
C -0.979177 0.926317 -0.063568
C 3.644128 1.920245 -0.842623
C 3.504158 -2.377687 0.959652
C -0.906221 -1.454861 -0.542610
C -3.880021 -1.509728 -0.772382
C -5.344267 -1.286739 -0.354133
H 2.768907 1.579031 1.122497
H 4.288059 0.710150 0.854163
H 2.985962 -2.005267 -1.119028
H 4.420213 -1.126943 -0.575612
H 0.883476 1.921303 0.255219
H 1.020563 -2.374652 -0.569818
H 2.710558 2.265638 -1.313899
H 4.232474 1.361918 -1.602301
H 2.500734 -2.691116 1.289205
H 3.997174 -1.854556 1.806056
H -1.393921 -2.402825 -0.784914
H -3.527144 0.617665 -0.400579
H -3.493877 -2.384648 -0.216102
H -3.833360 -1.748798 -1.858041
H -5.739659 -0.360317 -0.825934
H -5.958349 -2.136931 -0.691737
H 5.236667 2.930301 -0.097944
H 5.155658 -3.448947 0.468084
H -4.941314 -0.532032 1.473344


