%chk=000100403.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100403

0 1
 O  -0.8380000      -1.648200       1.119500    
 O  -0.5597000      -4.038000     -0.2108000    
 N   0.2056000       2.214600     -0.2680000    
 C   0.4955000      6.9100000E-02  0.2219000    
 C    1.776700      0.6818000      0.1317000    
 C  -0.4500000       1.036600     -2.8800000E-02
 C    1.566500       2.027700     -0.1767000    
 C   -1.892400      0.9573000     -6.3100003E-02
 C   0.2042000      -1.306900      0.5193000    
 C    3.099000      0.2194000      0.2833000    
 C    2.616700       2.937600     -0.3418000    
 C    1.200500      -2.411900      0.1201000    
 C    4.159400       1.118300      0.1213000    
 C    3.919700       2.456000     -0.1865000    
 C   -2.628100       1.182900       1.099000    
 C   -2.544500      0.6548000      -1.257200    
 C   0.6443000      -3.788500     -0.1919000    
 C   -4.020400       1.105600       1.066900    
 C   -3.936800      0.5777000      -1.289100    
 C   -4.674700      0.8030000     -0.1271000    
 C    1.656800      -4.848900     -0.5418000    
 H  -0.2398000       3.096800     -0.4813000    
 H    3.326700     -0.8100000      0.5362000    
 H    2.431000       3.979200     -0.5812000    
 H    1.731300      -2.091000     -0.7829000    
 H    1.907200      -2.524700      0.9488000    
 H    5.181400      0.7683000      0.2403000    
 H    4.758300       3.137000     -0.3071000    
 H   -2.132800       1.419200       2.037700    
 H   -1.983500      0.4758000      -2.171200    
 H   -4.595100       1.280700       1.971700    
 H   -4.446500      0.3418000      -2.218700    
 H   -5.758800      0.7427000     -0.1520000    
 H    2.373400      -4.955800      0.2764000    
 H    2.174400      -4.571100      -1.463100    
 H    1.151300      -5.807000     -0.6914000    


%chk=000100403-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100403

0 1
O -0.577766 -1.977806 -1.213115
O 2.045248 -4.659875 -1.541748
N 0.175475 2.038063 0.279587
C 0.679679 -0.065256 -0.446181
C 1.930510 0.679276 -0.248349
C -0.389226 0.823975 -0.115247
C 1.571476 1.996782 0.198878
C -1.861144 0.700772 -0.026191
C 0.525965 -1.481380 -0.815922
C 3.314588 0.402267 -0.430332
C 2.509195 3.014148 0.468605
C 1.768512 -2.389904 -0.727329
C 4.263014 1.408960 -0.160413
C 3.870769 2.701998 0.287202
C -2.532424 1.318104 1.072112
C -2.641233 0.050900 -1.020719
C 1.465936 -3.897151 -0.724632
C -3.938661 1.289153 1.169732
C -4.048512 0.031421 -0.922238
C -4.704407 0.648435 0.167928
C 0.490715 -4.418356 0.316052
H -0.377710 2.861029 0.515907
H 3.663034 -0.569066 -0.787807
H 2.196043 4.008850 0.804134
H 2.419743 -2.186654 -1.598888
H 2.347846 -2.142117 0.184446
H 5.327349 1.193044 -0.303015
H 4.633977 3.461713 0.486426
H -1.949058 1.779146 1.878913
H -2.138351 -0.441297 -1.853990
H -4.434398 1.753306 2.029398
H -4.633251 -0.471253 -1.700056
H -5.797300 0.624106 0.240905
H -0.527897 -4.103331 0.022559
H 0.692306 -3.982969 1.312439
H 0.538758 -5.517132 0.363347


