%chk=000122148.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122148

0 1
 O   0.2943000     -0.8237000       1.442700    
 O    3.403300      -1.501600       1.435100    
 O   -2.055400     -0.1535000      -1.520200    
 O   -5.767800      -1.670200     -0.5404000    
 O    1.735500       5.572100     -0.4731000    
 O    2.933200       4.195200      0.8772000    
 N    1.594800      -1.250900     -0.4235000    
 N   -1.004300       1.045600      0.1778000    
 N   -4.435200      0.2535000     -0.6168000    
 N    3.395600      -3.802500       1.430500    
 C    1.934100      -2.625500     -7.9000004E-02
 C    2.490100      -3.221600      -1.366900    
 C    2.138900     -0.8854000      -1.728900    
 C    3.092000      -2.016200      -2.085100    
 C   0.3525000      0.8519000     -0.2478000    
 C   0.7337000     -0.4818000      0.3435000    
 C   -3.397400      0.8536000      0.1730000    
 C    1.299900       1.934100      0.2607000    
 C    2.972300      -2.567000       1.000900    
 C   -3.544000      0.1882000       1.528200    
 C   -2.101800      0.5243000     -0.4969000    
 C   -4.164100      -1.173200       1.215300    
 C    1.018300       3.312500     -0.3440000    
 C   -4.918600     -0.9298000     -6.8800002E-02
 C    1.999900       4.371800      0.1067000    
 H    1.052900      -3.158700      0.2938000    
 H    3.223300      -4.020600      -1.227000    
 H    1.666000      -3.622000      -1.970600    
 H    2.635900      8.7099999E-02  -1.694300    
 H    1.309300     -0.8436000      -2.443100    
 H    3.184300      -2.164600      -3.164500    
 H    4.090300      -1.805700      -1.683200    
 H   0.3502000      0.8251000      -1.340200    
 H   -3.538600       1.937800      0.2098000    
 H    1.238900       2.005200       1.355500    
 H    2.338100       1.653700      4.2599998E-02
 H   -2.617200      8.9299999E-02   2.100500    
 H   -4.249600      0.7642000       2.140800    
 H   -1.161500       1.562700       1.038300    
 H   -4.837700      -1.505000       2.009000    
 H   -3.394700      -1.930100       1.033400    
 H   -4.758200      0.6278000      -1.503700    
 H   1.4200000E-02   3.646100     -6.0100000E-02
 H    1.074600       3.248500      -1.436600    
 H    4.102400      -3.889200       2.153300    
 H    3.013800      -4.667600       1.061700    
 H    2.374400       6.261800     -0.1928000    


%chk=000122148-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122148

0 1
O 1.053467 -1.321094 1.746625
O 5.301284 -2.547085 0.575889
O -2.198623 0.910909 -1.064671
O -6.234055 2.125394 -0.133146
O 0.607067 5.145631 -0.606541
O 2.545955 3.903058 -0.891496
N 2.084555 -1.596677 -0.319178
N -0.877128 0.241116 0.731393
N -4.257811 1.473388 0.975476
N 3.787698 -1.868883 2.216687
C 2.871546 -2.795618 0.126141
C 3.286362 -3.460723 -1.200590
C 2.278891 -1.316419 -1.776423
C 3.433459 -2.264542 -2.174596
C 0.375777 0.204045 -0.038427
C 1.201092 -0.975172 0.513065
C -3.325142 0.346694 1.060344
C 1.201187 1.519047 0.086032
C 4.113342 -2.387142 0.985607
C -4.208989 -0.849622 0.549306
C -2.090650 0.539810 0.146038
C -5.266912 -0.184055 -0.362826
C 0.409309 2.757224 -0.381264
C -5.357476 1.266235 0.140700
C 1.319356 3.940560 -0.643737
H 2.212581 -3.425127 0.752115
H 4.232734 -4.009867 -1.081989
H 2.496990 -4.154826 -1.541244
H 2.526407 -0.254953 -1.947966
H 1.350379 -1.555782 -2.330768
H 3.368816 -2.560770 -3.234150
H 4.407856 -1.775744 -2.005131
H 0.101010 0.054173 -1.099397
H -2.995328 0.180126 2.103836
H 1.521086 1.646640 1.137467
H 2.124825 1.435774 -0.516357
H -3.604187 -1.610800 0.030431
H -4.693125 -1.327371 1.418819
H -0.808312 -0.134705 1.685306
H -6.256919 -0.665113 -0.321837
H -4.938790 -0.151510 -1.416417
H -4.040739 2.406279 1.328783
H -0.362604 3.053274 0.348982
H -0.142358 2.538154 -1.317499
H 4.540173 -1.570732 2.837800
H 2.796645 -1.719708 2.460393
H 1.220198 5.898609 -0.828783


