%chk=000023658.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023658

0 1
 O   -1.709200      0.2753000     -0.4583000    
 N    4.276800     -0.5302000       1.497000    
 C   0.1675000      -1.191000     -0.2692000    
 C   0.4812000       1.204300     -0.2414000    
 C  -0.7206000      -2.388400     -0.3562000    
 C  -6.8800002E-02   2.591600     -0.2982000    
 C  -0.3637000      9.7599998E-02 -0.3235000    
 C    2.388700     -0.2662000     -5.0900001E-02
 C    1.543800      -1.372900     -0.1329000    
 C    1.857500       1.022500     -0.1052000    
 C  -0.6659000      -3.253300      0.9164000    
 C  -0.4181000      -3.255200      -1.592300    
 C   0.2024000       3.383900      0.9937000    
 C   0.4505000       3.379300      -1.515000    
 C    3.860200     -0.4600000      9.5399998E-02
 C   -2.473600      0.3605000      0.7419000    
 C   -3.901300      0.6099000      0.3848000    
 C   -4.907500     -0.2077000      0.7138000    
 H   -1.766700      -2.082500     -0.4689000    
 H   -1.158100       2.567700     -0.4147000    
 H    1.968700      -2.372600     -8.7899998E-02
 H    2.525200       1.877800     -3.8800001E-02
 H  -0.8969000      -2.655600       1.805000    
 H   -1.398000      -4.066200      0.8591000    
 H   0.3207000      -3.705600       1.063800    
 H   0.5802000      -3.703600      -1.545800    
 H   -1.144500      -4.070900      -1.676200    
 H  -0.4758000      -2.658400      -2.509400    
 H  -0.1772000       2.845700       1.869100    
 H  -0.2957000       4.359000      0.9572000    
 H    1.271700       3.563800       1.148600    
 H    1.530300       3.554600      -1.461100    
 H  -4.1299999E-02   4.356100      -1.578200    
 H   0.2440000       2.838500      -2.445300    
 H    4.175800      -1.376500     -0.4171000    
 H    4.402200      0.3557000     -0.3977000    
 H   -2.365200     -0.5626000       1.322700    
 H   -2.114900       1.191000       1.360400    
 H    3.792700      -1.296100       1.963600    
 H    4.004400      0.3240000       1.981900    
 H   -4.126100       1.515900     -0.1717000    
 H   -5.925600      3.1199999E-02  0.4264000    
 H   -4.736600      -1.122800       1.269800    


%chk=000023658-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023658

0 1
O -1.768504 0.249487 -0.496995
N 4.353445 -0.530865 1.627213
C 0.171607 -1.242356 -0.279637
C 0.470719 1.230836 -0.232977
C -0.733882 -2.468291 -0.431734
C -0.112320 2.643126 -0.336939
C -0.360105 0.077550 -0.311414
C 2.431538 -0.265765 -0.024263
C 1.572567 -1.385258 -0.135162
C 1.864643 1.029512 -0.090233
C -0.689855 -3.376019 0.826678
C -0.370185 -3.278084 -1.705239
C 0.167555 3.478802 0.940528
C 0.417958 3.374173 -1.599834
C 3.934350 -0.451134 0.203181
C -2.529455 0.321758 0.782229
C -3.962174 0.636640 0.447006
C -5.026895 -0.054116 0.922803
H -1.768485 -2.100925 -0.561110
H -1.207057 2.541430 -0.454039
H 2.007896 -2.393602 -0.117633
H 2.528589 1.903014 -0.037617
H -0.970720 -2.817943 1.739215
H -1.387778 -4.226572 0.713290
H 0.323131 -3.790866 0.985993
H 0.659730 -3.677398 -1.647784
H -1.059417 -4.134634 -1.826424
H -0.440167 -2.646898 -2.608869
H -0.227588 2.980276 1.845096
H -0.304452 4.476088 0.862077
H 1.252994 3.631357 1.089236
H 1.514830 3.509165 -1.554562
H -0.043143 4.375731 -1.688468
H 0.184088 2.802330 -2.515387
H 4.278534 -1.376369 -0.295361
H 4.490091 0.385822 -0.259179
H -2.442208 -0.638689 1.329552
H -2.082950 1.122730 1.411031
H 3.962285 -1.344872 2.115681
H 4.161407 0.331186 2.150910
H -4.109753 1.499427 -0.217188
H -6.054028 0.236314 0.676788
H -4.903634 -0.928500 1.574238


