%chk=000029395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029395

0 1
 O   0.2724000       2.190600      -1.075400    
 N   0.5624000      6.8200000E-02 -3.7599999E-02
 C   -1.658100      0.8644000     -0.3732000    
 C   -1.634200     -0.4814000      0.3025000    
 C  -0.1566000       1.174500     -0.5447000    
 C   -2.301700       1.936300      0.5072000    
 C   -2.326200      0.7943000      -1.747100    
 C  -0.3142000     -0.9050000      0.4918000    
 C   -2.709800      -1.243200      0.7397000    
 C  -5.2999999E-02  -2.078800       1.185700    
 C    1.977100     -4.9300000E-02 -6.6399999E-02
 C   -1.513500       2.149500       1.760900    
 C   -1.644400     -0.2043000      -2.628200    
 C   -2.450400      -2.442600       1.400100    
 C   -1.130900      -2.852500       1.628900    
 C    2.578900      -1.308800     -0.1605000    
 C    2.781800       1.093500     -1.5000000E-03
 C  -0.9388000       3.311300       2.091400    
 C   -2.245800      -1.289000      -3.129600    
 C    3.968600      -1.424300     -0.1893000    
 C    4.171600      0.9778000     -3.0400001E-02
 C    4.764900     -0.2811000     -0.1242000    
 H   -3.327500       1.658000      0.7791000    
 H   -2.375200       2.879600     -5.0299998E-02
 H   -2.276100       1.771200      -2.245200    
 H   -3.392100      0.5537000      -1.641500    
 H   -3.731600     -0.9134000      0.5851000    
 H   0.9410000      -2.409600       1.456500    
 H   -1.437900       1.326700       2.467100    
 H  -0.6139000     -1.6899999E-02  -2.919300    
 H   -3.274600      -3.053900       1.756600    
 H  -0.9432000      -3.774200       2.173700    
 H    2.011900      -2.219500     -0.3198000    
 H    2.360800       2.087900      0.1089000    
 H  -0.3971000       3.409500       3.025800    
 H  -0.9939000       4.177800       1.441800    
 H   -1.704100      -1.964800      -3.782300    
 H   -3.278900      -1.523300      -2.898600    
 H    4.431100      -2.402300     -0.2862000    
 H    4.792300       1.867200      2.7400000E-02
 H    5.846900     -0.3709000     -0.1504000    


%chk=000029395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029395

0 1
O 0.381756 2.102995 -1.201502
N 0.607909 0.046930 -0.014594
C -1.629748 0.835776 -0.413076
C -1.631295 -0.475306 0.353881
C -0.116801 1.114320 -0.606470
C -2.269571 2.024471 0.387799
C -2.325066 0.746749 -1.816999
C -0.294166 -0.897979 0.574007
C -2.699011 -1.229984 0.860481
C 0.001354 -2.056780 1.317505
C 2.038529 -0.072643 -0.055375
C -1.716246 2.207010 1.785567
C -1.720016 -0.273679 -2.757050
C -2.424162 -2.412244 1.595735
C -1.086253 -2.810965 1.823926
C 2.641654 -1.304620 -0.414072
C 2.845399 1.055176 0.233504
C -1.065588 3.317753 2.213494
C -2.380903 -1.335718 -3.279984
C 4.048312 -1.409731 -0.461235
C 4.250646 0.942355 0.171719
C 4.858781 -0.288639 -0.167503
H -3.362123 1.835258 0.438293
H -2.115004 2.946765 -0.202997
H -2.245250 1.754612 -2.273260
H -3.399345 0.531424 -1.659767
H -3.734924 -0.911172 0.696076
H 1.031650 -2.363806 1.516920
H -1.869809 1.370225 2.483031
H -0.669926 -0.101280 -3.039214
H -3.247949 -3.013898 1.994052
H -0.881877 -3.716864 2.405497
H 2.015219 -2.162386 -0.679304
H 2.371792 2.006058 0.490286
H -0.691068 3.403122 3.240072
H -0.885796 4.170513 1.547041
H -1.893770 -2.031827 -3.971954
H -3.429443 -1.541455 -3.029204
H 4.509059 -2.363859 -0.739898
H 4.870843 1.817900 0.392460
H 5.950206 -0.371674 -0.209386


