%chk=000053419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053419

0 1
 O    1.254100     -0.1580000     -0.7358000    
 O   -2.850600      -2.639200     -0.2083000    
 O   -2.691500       1.828400       1.142900    
 O  -7.2499998E-02  -2.570000      -1.073000    
 O  -0.4220000       3.179900      -1.661400    
 N  -2.5800001E-02   2.040200      0.3628000    
 N    4.656200     -0.6051000      0.5974000    
 C   -2.730500     -0.4762000      0.4325000    
 C  -5.4600000E-02 -0.2679000     -0.3549000    
 C  -0.7138000      0.8318000      0.2007000    
 C   -2.039300      -1.547400     -0.1242000    
 C   -2.054400      0.7449000      0.6004000    
 C  -0.7075000      -1.491600     -0.5311000    
 C    2.237700     -0.4713000      0.2450000    
 C    3.615800     -0.3109000     -0.3767000    
 C   -4.039400     -0.9578000      0.6984000    
 C   -4.059100      -2.271900      0.2918000    
 C    5.980700     -0.4132000      2.1100000E-02
 C   7.6300003E-02   3.100500     -0.5433000    
 C    7.070200     -0.7317000       1.030900    
 C   -3.359000       2.699900      0.2372000    
 C   1.7800000E-02  -3.740700     -0.2645000    
 C   0.9110000       4.227100      1.2100000E-02
 H    2.098400      -1.502200      0.5931000    
 H    2.127700      0.2022000       1.103900    
 H    3.696000     -0.9795000      -1.242800    
 H    3.716100      0.7125000     -0.7602000    
 H   -4.866600     -0.4142000       1.132500    
 H   0.3838000       2.171500       1.285100    
 H   -4.817000      -3.041500      0.2917000    
 H    4.546700     -4.1999999E-03   1.414000    
 H    6.111100      -1.067000     -0.8492000    
 H    6.104400      0.6227000     -0.3164000    
 H    7.000300      -1.769700       1.373300    
 H    8.057500     -0.5908000      0.5794000    
 H    7.002800     -7.6600000E-02   1.906100    
 H   -4.425200       2.455400      0.2278000    
 H   -2.965600       2.628900     -0.7820000    
 H   -3.237900       3.727100      0.5919000    
 H   0.1815000      -3.490800      0.7893000    
 H   0.8704000      -4.329400     -0.6149000    
 H  -0.8855000      -4.347000     -0.3752000    
 H    1.076300       4.981700     -0.7618000    
 H    1.880700       3.846200      0.3452000    
 H   0.3893000       4.687600      0.8557000    


%chk=000053419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053419

0 1
O 1.461910 0.076741 -0.307484
O -2.613123 -2.640559 0.679267
O -2.744375 2.138694 0.815096
O 0.344754 -2.592065 -0.046927
O -1.469368 3.401905 -1.451917
N 0.021018 2.260309 -0.038529
N 4.929279 -0.849617 0.692091
C -2.639053 -0.319436 0.616640
C 0.110292 -0.164747 -0.002579
C -0.679619 1.033918 0.132457
C -1.843901 -1.479578 0.427566
C -2.053611 0.968876 0.473491
C -0.469123 -1.455430 0.107034
C 2.520318 -0.829623 0.214304
C 3.817933 -0.011578 0.203493
C -3.954431 -0.793205 1.024549
C -3.902603 -2.168260 1.044463
C 6.282213 -0.286012 0.487071
C -0.384349 3.354169 -0.805579
C 7.357620 -1.231648 1.048221
C -3.917943 2.480928 -0.026259
C -0.232542 -3.713535 -0.820815
C 0.598110 4.524873 -0.787097
H 2.608029 -1.715989 -0.430884
H 2.249189 -1.159334 1.236529
H 4.039611 0.286342 -0.838725
H 3.668064 0.931813 0.786950
H -4.814775 -0.185102 1.293306
H 1.014999 2.207158 0.202425
H -4.624403 -2.945220 1.279719
H 4.790279 -1.143157 1.669437
H 6.433877 -0.156605 -0.602586
H 6.401013 0.727301 0.948316
H 7.281805 -2.224525 0.571603
H 8.369323 -0.827240 0.865547
H 7.241817 -1.365177 2.141260
H -4.657231 1.658530 -0.040471
H -3.567163 2.719071 -1.042804
H -4.356863 3.372579 0.446524
H -1.084778 -4.164655 -0.286066
H 0.588132 -4.440154 -0.918175
H -0.555807 -3.367882 -1.820681
H 0.226577 5.295206 -0.087018
H 0.635823 4.975524 -1.791567
H 1.618075 4.239097 -0.474695


