%chk=000039802.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039802

0 1
 O  -0.8701000      -1.561900      -1.901200    
 O   -3.131000      -1.834700     -0.4077000    
 O   -3.874000      0.1507000       1.368400    
 O    3.359600      -1.873900       1.166900    
 O    4.621100     -0.5616000     -0.2336000    
 N    2.323700     -0.2962000     -4.8500001E-02
 C    2.162900      0.7903000     -0.9868000    
 C    2.428600       2.147900     -0.3286000    
 C   0.8378000      0.7059000      -1.758100    
 C    1.418900       2.592200      0.7299000    
 C   2.0700000E-02   2.854100      0.1737000    
 C  -0.4049000      0.5877000     -0.9074000    
 C  -0.7879000       1.594100     -2.9000000E-03
 C   -1.207600     -0.5600000      -1.034400    
 C   -1.961400       1.426700      0.7531000    
 C   -2.367100     -0.7131000     -0.2754000    
 C   -2.744100      0.2810000      0.6191000    
 C    3.538300     -0.8788000      0.2476000    
 C   -4.168100      -1.799400      -1.385500    
 C   -3.739200     -0.4800000       2.640600    
 C    4.543700      -2.570900       1.570600    
 H    2.957400      0.6706000      -1.736700    
 H    2.479200       2.916800      -1.110800    
 H    3.421200       2.129500      0.1402000    
 H   0.9135000     -0.1456000      -2.445100    
 H   0.7285000       1.582100      -2.410800    
 H    1.791600       3.532000       1.157600    
 H    1.384100       1.869100       1.553900    
 H   6.6200003E-02   3.398600     -0.7774000    
 H  -0.4997000       3.522200      0.8720000    
 H    1.512200     -0.6226000      0.4673000    
 H   -2.269700       2.198200       1.455900    
 H   -1.505100      -2.292000      -1.803600    
 H   -3.760800      -1.590300      -2.379700    
 H   -4.916500      -1.045500      -1.122000    
 H   -4.652500      -2.779400      -1.405900    
 H   -3.369500      -1.503900       2.526100    
 H   -4.725300     -0.5149000       3.111800    
 H   -3.064000      9.3900003E-02   3.283200    
 H    4.257400      -3.332000       2.301400    
 H    5.248000      -1.878700       2.041800    
 H    5.003500      -3.065600      0.7098000    


%chk=000039802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039802

0 1
O -0.823551 -1.544060 -1.977284
O -3.068632 -1.877299 -0.520756
O -3.857406 0.217718 1.433343
O 3.282292 -1.853787 1.245921
O 4.671011 -0.399470 0.006208
N 2.326290 -0.310685 -0.127340
C 2.259355 0.801405 -1.096643
C 2.561809 2.174523 -0.436830
C 0.899643 0.743146 -1.850299
C 1.563913 2.645594 0.643343
C 0.118495 2.899406 0.125429
C -0.332351 0.621799 -0.963326
C -0.721299 1.639614 -0.041260
C -1.155834 -0.525944 -1.070838
C -1.885519 1.475203 0.747525
C -2.339523 -0.674674 -0.300794
C -2.689362 0.319663 0.639564
C 3.520289 -0.800904 0.330874
C -4.451550 -1.669762 -1.025169
C -3.850036 -0.912466 2.391793
C 4.503923 -2.476064 1.790117
H 3.061791 0.629195 -1.840581
H 2.603971 2.930699 -1.248446
H 3.578318 2.118347 -0.003276
H 0.917389 -0.114537 -2.542925
H 0.829182 1.662666 -2.464671
H 1.950462 3.590815 1.072593
H 1.532980 1.912983 1.473395
H 0.186014 3.441232 -0.842003
H -0.400467 3.577724 0.827459
H 1.460542 -0.737062 0.208237
H -2.183265 2.241140 1.470491
H -1.504708 -2.264840 -1.867924
H -4.427458 -1.171236 -2.012143
H -5.028705 -1.057077 -0.311520
H -4.886834 -2.676510 -1.115415
H -3.716087 -1.877875 1.870011
H -4.829402 -0.877898 2.892775
H -3.041496 -0.775412 3.134498
H 4.140221 -3.247359 2.484637
H 5.120403 -1.728541 2.318526
H 5.104792 -2.926809 0.981506


