%chk=000173941.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173941

0 1
 O    2.492300      -2.644900      0.2477000    
 O  -0.3753000       3.101500      4.1400000E-02
 O   -2.672100     -0.7050000      -2.630800    
 O   -3.514500      -1.234300       2.037800    
 N    1.769800      0.1223000      0.5355000    
 C    3.063100     -0.2734000     -3.7099998E-02
 C    1.341200       1.398500     -9.6000005E-03
 C    3.447900      -1.638600      0.5614000    
 C  -1.1000000E-03   1.833100      0.5792000    
 C    4.094900      0.8040000      0.3236000    
 C    2.930000     -0.3643000      -1.564300    
 C   -1.096600      0.8396000      0.2690000    
 C   -1.801000      0.2602000       1.311200    
 C   -1.375000      0.5283000      -1.051600    
 C   -2.386300     -0.3888000      -1.338300    
 C   -2.812400     -0.6568000       1.024800    
 C   -3.105100     -0.9813000     -0.3000000    
 H    1.839900      0.1856000       1.550900    
 H    2.040500       2.205700      0.2343000    
 H    1.251200       1.398800      -1.099500    
 H    3.539300      -1.585500       1.652800    
 H    4.415800      -1.972200      0.1712000    
 H   9.6299998E-02   1.965200       1.664300    
 H    5.106300      0.4345000      0.1120000    
 H    4.069800       1.052500       1.391300    
 H    3.991000       1.728800     -0.2533000    
 H    2.906200      0.6107000      -2.062300    
 H    3.795300     -0.8918000      -1.985000    
 H    2.038600     -0.9279000      -1.864700    
 H   -1.577700      0.5084000       2.345200    
 H  -0.8299000      0.9964000      -1.866300    
 H   0.3260000       3.735500      0.2690000    
 H    1.628000      -2.330700      0.5638000    
 H   -3.892200      -1.695100     -0.5303000    
 H   -2.078400     -0.2050000      -3.217000    
 H   -4.173600      -1.840900       1.658900    


%chk=000173941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173941

0 1
O 1.849966 -2.300327 0.655600
O -0.508274 3.201921 -0.350734
O -3.454334 -0.272106 -2.575380
O -2.557235 -1.995442 1.878978
N 1.885140 0.444127 0.585528
C 3.144558 -0.245015 0.133213
C 1.337097 1.572467 -0.182591
C 3.111114 -1.610357 0.889022
C -0.069506 1.980478 0.349987
C 4.420811 0.545490 0.520237
C 3.102521 -0.499093 -1.390132
C -1.123933 0.912907 0.107627
C -1.392891 -0.048588 1.103519
C -1.796769 0.862318 -1.136795
C -2.737148 -0.165172 -1.369533
C -2.333254 -1.072912 0.843118
C -3.012638 -1.145810 -0.391681
H 1.955069 0.676043 1.588747
H 1.988099 2.485958 -0.154515
H 1.227585 1.279303 -1.239536
H 3.269971 -1.426049 1.978166
H 3.914434 -2.276061 0.527973
H 0.009142 2.177911 1.442908
H 5.333904 0.000894 0.214786
H 4.472933 0.704371 1.614935
H 4.437464 1.534905 0.026765
H 3.155266 0.439968 -1.969692
H 3.970229 -1.117985 -1.679687
H 2.186741 -1.048914 -1.667654
H -0.900579 -0.021077 2.079631
H -1.605286 1.643606 -1.880938
H 0.204303 3.887085 -0.274815
H 1.160959 -1.571563 0.661604
H -3.749105 -1.927333 -0.609525
H -3.207187 0.462099 -3.190463
H -3.196965 -2.694950 1.596526


