%chk=000176171.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176171

0 1
 O   0.7046000      0.8434000      -1.225700    
 N   0.6420000     -0.4149000     -0.6757000    
 C  -0.7820000     -0.7904000     -0.4412000    
 C    1.397400     -0.4149000      0.6266000    
 C   -1.456000      0.2371000      0.4754000    
 C    1.284400      -1.392800      -1.623100    
 C  -0.8255000      -2.188200      0.1615000    
 C    2.832300     -2.1800000E-02  0.4577000    
 C   -2.955100      0.2929000      0.3056000    
 C    3.792000     -0.9984000      0.2067000    
 C    3.198100       1.318000      0.5519000    
 C   -3.501300       1.163000     -0.6247000    
 C   -3.757800     -0.5273000       1.082500    
 C    5.128700     -0.6322000      4.9100000E-02
 C    4.534800       1.684000      0.3941000    
 C   -4.886400       1.214500     -0.7818000    
 C   -5.142900     -0.4758000      0.9252000    
 C    5.500100      0.7088000      0.1427000    
 C   -5.707100      0.3951000     -7.0000002E-03
 H   -1.250500     -0.7873000      -1.434100    
 H    1.357500      -1.413500       1.069700    
 H   0.9120000      0.2879000       1.310300    
 H   -1.072800       1.252400      0.3125000    
 H   -1.239700      2.6900001E-02   1.531600    
 H   0.5800000      -1.581300      -2.439000    
 H    2.175400     -0.9198000      -2.046900    
 H    1.546300      -2.317700      -1.107400    
 H  -0.5145000      -2.223600       1.210000    
 H  -0.2656000      -2.943300     -0.3929000    
 H   -1.862000      -2.546900      0.1531000    
 H    3.525300      -2.049600      0.1470000    
 H    2.456700       2.087500      0.7494000    
 H   -2.870200       1.802900      -1.234600    
 H   -3.330000      -1.206700       1.814000    
 H    5.880900      -1.391800     -0.1428000    
 H    4.824300       2.728200      0.4677000    
 H   -5.325800       1.892000      -1.508100    
 H   -5.782200      -1.113300       1.529000    
 H    6.541000      0.9939000      2.0900000E-02
 H   -6.785600      0.4351000     -0.1294000    


%chk=000176171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176171

0 1
O 0.582913 1.148422 -0.977207
N 0.650890 -0.236819 -0.631819
C -0.826853 -0.751284 -0.407009
C 1.496932 -0.419952 0.666820
C -1.514283 0.145734 0.652109
C 1.280662 -0.989319 -1.792066
C -0.955535 -2.253768 -0.107051
C 2.953818 -0.058177 0.483828
C -3.020531 0.198851 0.447702
C 3.955725 -1.053386 0.616450
C 3.339198 1.278826 0.195673
C -3.562104 0.927766 -0.645536
C -3.913417 -0.472083 1.321625
C 5.323014 -0.725052 0.471362
C 4.705343 1.603885 0.044089
C -4.956567 0.980921 -0.858643
C -5.311436 -0.420884 1.111432
C 5.700433 0.606879 0.183292
C -5.838054 0.304720 0.018834
H -1.276093 -0.517450 -1.389495
H 1.398405 -1.466414 1.007798
H 1.003809 0.251467 1.386479
H -1.068175 1.150922 0.510779
H -1.284582 -0.219384 1.671775
H 0.602479 -0.881280 -2.651491
H 2.232160 -0.488594 -2.014243
H 1.452165 -2.053541 -1.553676
H -0.481925 -2.532990 0.851810
H -0.540137 -2.889128 -0.907991
H -2.031359 -2.492527 -0.020592
H 3.666879 -2.088384 0.842013
H 2.552611 2.028174 0.066751
H -2.880997 1.465640 -1.317343
H -3.511855 -1.030529 2.176931
H 6.087821 -1.501916 0.583247
H 4.995215 2.636284 -0.182218
H -5.357986 1.554568 -1.702035
H -5.986638 -0.942318 1.799788
H 6.759646 0.865931 0.072215
H -6.920793 0.348289 -0.144586


