%chk=000050260.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050260

0 1
 O  -0.7201000      0.4922000       2.555100    
 O    1.855100       3.077800     -0.2138000    
 O  -0.2679000       2.653600      0.1496000    
 O  -0.2658000      -3.586100      0.4774000    
 O   -1.747500      -1.973600      0.6311000    
 N   -1.158500      0.4074000      0.4117000    
 N   -1.582800      0.6794000       1.691100    
 N   0.9135000       2.276100     -2.0400001E-02
 N  -0.5712000      -2.370900      0.4621000    
 C   -1.967500      0.5437000     -0.7831000    
 C   -3.443400      0.3071000     -0.4303000    
 C   -1.497700     -0.4659000      -1.841300    
 C   0.1967000     -5.0600000E-02  0.2162000    
 C    1.197500      0.8787000      7.0000002E-03
 C   0.4545000      -1.407800      0.2455000    
 C    2.506100      0.4339000     -0.1804000    
 C   -3.962900       1.281500      0.6197000    
 C   -2.289100     -0.3690000      -3.139700    
 C    2.789000     -0.9319000     -0.1548000    
 C    1.763200      -1.852600      5.8100000E-02
 C    3.616800       1.411900     -0.4094000    
 C    4.181900      -1.434800     -0.3513000    
 H   -1.875400       1.551300      -1.205100    
 H   -4.048000      0.4714000      -1.330300    
 H   -3.655100     -0.7184000     -0.1137000    
 H   -1.602900      -1.510400      -1.561800    
 H  -0.4565000     -0.2861000      -2.132300    
 H   -3.959200      0.8637000       1.630300    
 H   -3.459400       2.253200      0.5929000    
 H   -5.022300       1.481200      0.4130000    
 H   -3.311900     -0.7393000      -3.023800    
 H   -2.327600      0.6623000      -3.504800    
 H   -1.812700     -0.9800000      -3.914400    
 H    2.007400      -2.912300      7.4100003E-02
 H    4.592800      0.9363000     -0.5411000    
 H    3.479100       1.969100      -1.343000    
 H    3.768100       2.063100      0.4590000    
 H    4.224800      -2.529000     -0.3014000    
 H    4.563900      -1.152400      -1.337900    
 H    4.847100      -1.060400      0.4338000    


%chk=000050260-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050260

0 1
O -0.715937 0.013241 2.582425
O 1.375099 2.959916 0.467337
O 0.121562 2.393509 -1.353077
O 0.145979 -3.681096 1.340075
O -1.537650 -2.533160 0.323811
N -1.109637 0.203660 0.347752
N -1.554708 0.347713 1.679766
N 0.888628 2.101724 -0.358114
N -0.311705 -2.656569 0.703700
C -2.135127 0.493870 -0.733546
C -3.575372 0.204450 -0.228142
C -1.792983 -0.294711 -2.024655
C 0.234623 -0.251069 0.098865
C 1.272781 0.675308 -0.172779
C 0.655777 -1.579204 0.364145
C 2.647842 0.346338 -0.268115
C -4.264911 1.389473 0.481667
C -2.486658 0.309691 -3.264193
C 3.016191 -1.012771 -0.020785
C 2.014165 -1.948278 0.307172
C 3.697863 1.388611 -0.592734
C 4.464644 -1.454301 -0.086300
H -2.041156 1.574591 -0.964859
H -4.177106 -0.079308 -1.112880
H -3.548630 -0.683803 0.429061
H -2.078749 -1.353447 -1.888825
H -0.701291 -0.268488 -2.201284
H -3.724800 1.664980 1.401915
H -4.307457 2.277074 -0.177909
H -5.302930 1.127570 0.757272
H -3.587100 0.319111 -3.163185
H -2.150839 1.349364 -3.434276
H -2.242998 -0.278142 -4.167325
H 2.274295 -2.985131 0.537398
H 4.535071 0.942914 -1.153467
H 3.297569 2.227115 -1.184683
H 4.109055 1.822216 0.338391
H 4.571768 -2.505876 0.224623
H 4.871114 -1.364455 -1.111582
H 5.105818 -0.839232 0.570939


