%chk=000022657.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022657

0 1
 O   -1.638500       4.191700     -0.3347000    
 N  -7.0000002E-03  0.9071000      3.4100000E-02
 C  -0.3793000     -0.3173000      0.7418000    
 C    1.308100       1.371700      0.4735000    
 C   -1.013700       1.946500      0.2467000    
 C   -1.730600     -0.8243000      0.3129000    
 C    2.380600      0.3476000      0.2133000    
 C  -0.6347000       3.201700     -0.5208000    
 C   -2.866600     -0.3949000      0.9849000    
 C    2.673200     -0.5981000       1.186200    
 C   -1.821400      -1.714300     -0.7482000    
 C    3.062100      0.3636000     -0.9958000    
 C   -4.118300     -0.8649000      0.5876000    
 C    3.667000      -1.546800      0.9452000    
 C   -3.073200      -2.184000      -1.145600    
 C    4.055700     -0.5853000      -1.236900    
 C   -4.221700      -1.759400     -0.4778000    
 C    4.358100      -1.540500     -0.2664000    
 H  -0.3738000     -0.1748000       1.831800    
 H   0.3118000      -1.139300      0.5317000    
 H    1.304900       1.642300       1.539000    
 H    1.638300       2.266800     -6.1400000E-02
 H   -1.148900       2.183700       1.310300    
 H   -1.993300       1.665900     -0.1511000    
 H  -0.5496000       3.005400      -1.594700    
 H   0.2886000       3.672100     -0.1783000    
 H   -2.801800      0.2890000       1.826600    
 H    2.155500     -0.6065000       2.141300    
 H  -0.9343000      -2.050100      -1.278000    
 H    2.833500       1.100700      -1.760500    
 H   -5.012300     -0.5370000       1.109900    
 H    3.905000      -2.288300       1.702200    
 H   -3.153800      -2.880100      -1.975400    
 H    4.593600     -0.5809000      -2.180500    
 H   -5.196300      -2.125800     -0.7866000    
 H    5.132200      -2.278900     -0.4538000    
 H   -1.696200       4.377100      0.6181000    


%chk=000022657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022657

0 1
O -1.464946 4.295438 -0.833406
N -0.013427 1.018248 0.439614
C -0.624438 -0.148251 1.127012
C 1.367840 1.289084 0.909000
C -0.872315 2.225480 0.427097
C -1.854414 -0.692597 0.409354
C 2.373669 0.222608 0.484433
C -0.651232 3.069854 -0.845976
C -3.004275 -1.079290 1.140798
C 3.364575 -0.234169 1.387784
C -1.851529 -0.862680 -0.998850
C 2.362740 -0.292984 -0.836617
C -4.127289 -1.633392 0.483270
C 4.331380 -1.182858 0.980905
C -2.971940 -1.411628 -1.659090
C 3.324155 -1.242347 -1.245542
C -4.114346 -1.801735 -0.919977
C 4.314254 -1.689980 -0.338320
H -0.889054 0.087512 2.188639
H 0.152826 -0.936462 1.164831
H 1.411969 1.410298 2.021549
H 1.676449 2.262072 0.479372
H -0.706703 2.864484 1.333754
H -1.929950 1.911264 0.446554
H -0.996332 2.509420 -1.728475
H 0.424616 3.311427 -0.983292
H -3.021873 -0.945217 2.229979
H 3.378491 0.151485 2.415341
H -0.966234 -0.549343 -1.562968
H 1.585404 0.052367 -1.527397
H -5.010144 -1.926591 1.062831
H 5.090650 -1.528277 1.691836
H -2.956783 -1.536815 -2.747982
H 3.303846 -1.633919 -2.269118
H -4.984576 -2.227138 -1.432500
H 5.060206 -2.427626 -0.655061
H -1.208372 4.843658 -0.048784


