%chk=000132971.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132971

0 1
 O   -7.086400      0.7998000     -0.6274000    
 N    5.515800       1.903700      0.3807000    
 C   -1.373200      0.2834000     -0.1669000    
 C  -0.8547000      -1.105100      0.3084000    
 C   0.6135000      -1.253600     -9.7999997E-02
 C    1.537300     -0.1634000      0.5067000    
 C   -2.873600      0.5189000      0.2701000    
 C  -0.4103000       1.446500      0.1979000    
 C    1.072900       1.164800     -0.1141000    
 C   -1.712700      -2.222800     -0.3027000    
 C    1.339900      -2.565900      0.1724000    
 C   -3.719700     -0.7348000      4.4999998E-03
 C   -3.444300       1.705900     -0.5618000    
 C    2.874300     -0.7599000      7.8400001E-02
 C   -3.180300      -1.937500     -0.2617000    
 C    1.486700     -0.1022000       2.054900    
 C   -2.975200      0.8544000       1.777500    
 C    2.753900      -2.100200     -3.4200002E-02
 C   -5.221900     -0.5739000      4.3200001E-02
 C   -4.958500       1.880200     -0.4527000    
 C   -5.690400      0.5943000     -0.8199000    
 C    4.126500     -1.4400000E-02 -0.1405000    
 C    5.095700     -0.4702000      -1.034300    
 C    4.389600       1.171800      0.5349000    
 C    6.267400      0.2552000      -1.220000    
 C    6.427800       1.425100     -0.4952000    
 H   -1.366700      0.2429000      -1.268700    
 H  -0.9409000      -1.181600       1.397700    
 H   0.6265000      -1.135400      -1.198500    
 H  -0.4929000       1.695100       1.259700    
 H  -0.7030000       2.350200     -0.3490000    
 H    1.212900       1.147500      -1.202900    
 H    1.668500       2.005300      0.2579000    
 H   -1.520300      -3.157500      0.2379000    
 H   -1.432600      -2.398200      -1.348800    
 H    1.063700      -3.333400     -0.5564000    
 H    1.188500      -2.951900       1.184600    
 H   -3.198500       1.562200      -1.622900    
 H   -2.968600       2.646700     -0.2600000    
 H   -3.831800      -2.784600     -0.4631000    
 H    1.833500      -1.032300       2.519600    
 H    2.118700      0.7020000       2.443300    
 H   0.4808000      8.3899997E-02   2.440300    
 H   -2.488700      9.4400004E-02   2.397300    
 H   -2.516300       1.821000       2.008900    
 H   -4.013300      0.9223000       2.119600    
 H    3.553900      -2.787400     -0.2724000    
 H   -5.736200      -1.485100     -0.2889000    
 H   -5.550600     -0.4279000       1.079900    
 H   -5.239100       2.201200      0.5580000    
 H   -5.283900       2.691800      -1.115300    
 H   -5.529900      0.3589000      -1.879300    
 H   -7.357400       1.535200      -1.203000    
 H    4.956900      -1.382400      -1.608600    
 H    3.703800       1.598300       1.256000    
 H    7.029800     -8.2699999E-02  -1.912600    
 H    7.323300       2.027900     -0.6047000    


%chk=000132971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132971

0 1
O -7.199298 0.767096 -0.521432
N 5.548779 1.984529 0.393938
C -1.401474 0.248310 -0.196466
C -0.881179 -1.142202 0.296154
C 0.588750 -1.287516 -0.127565
C 1.530600 -0.176336 0.450236
C -2.884896 0.522575 0.263246
C -0.433960 1.422309 0.148605
C 1.064515 1.160537 -0.178274
C -1.751785 -2.266079 -0.311388
C 1.369677 -2.607076 0.107334
C -3.757106 -0.726280 0.010215
C -3.459944 1.704191 -0.593684
C 2.909086 -0.757511 0.034242
C -3.230731 -1.951280 -0.262542
C 1.490958 -0.113085 2.010343
C -2.960791 0.891135 1.778338
C 2.800287 -2.120576 -0.084328
C -5.268435 -0.538105 0.086258
C -4.981147 1.921559 -0.424724
C -5.751434 0.637094 -0.780369
C 4.164579 0.006058 -0.129676
C 5.214674 -0.478627 -0.964609
C 4.402842 1.254851 0.517696
C 6.409726 0.254105 -1.095053
C 6.536640 1.481476 -0.402448
H -1.432936 0.171302 -1.308355
H -0.964870 -1.200507 1.400249
H 0.608939 -1.136340 -1.231967
H -0.517113 1.669798 1.222792
H -0.753652 2.329601 -0.398547
H 1.209744 1.110922 -1.276481
H 1.660308 2.020438 0.183547
H -1.557750 -3.222319 0.215889
H -1.444633 -2.441207 -1.367301
H 1.091938 -3.409861 -0.600585
H 1.215713 -3.016223 1.129501
H -3.245572 1.496608 -1.663125
H -2.928155 2.639188 -0.335683
H -3.919230 -2.786960 -0.458963
H 1.748075 -1.092516 2.451625
H 2.221109 0.622208 2.393269
H 0.498269 0.180065 2.392828
H -2.399575 0.163564 2.391590
H -2.549838 1.898754 1.972484
H -4.002702 0.887971 2.141684
H 3.640306 -2.803678 -0.253068
H -5.787696 -1.462622 -0.222749
H -5.593110 -0.322183 1.124744
H -5.228855 2.203833 0.616586
H -5.309941 2.759267 -1.073811
H -5.580512 0.400029 -1.855160
H -7.549471 1.530140 -1.048054
H 5.075979 -1.412188 -1.520599
H 3.647807 1.692310 1.178047
H 7.224735 -0.104268 -1.732217
H 7.443954 2.090224 -0.486418


