%chk=000100098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100098

0 1
 O  -2.5599999E-02   2.037800       1.220800    
 O   -2.000300      -1.821000     -0.6654000    
 O    1.102100      -2.286600      0.1529000    
 O   -3.901400      -1.268800      0.4277000    
 O    3.169300      -1.945800     -0.7248000    
 N  -0.8559000      0.5161000     -0.3254000    
 N    1.693800       2.578400      -1.062900    
 C    1.446800       1.239100     -0.5255000    
 C    2.619200      0.8310000      0.3789000    
 C   0.1273000       1.317100      0.2366000    
 C    2.417700     -0.5170000       1.070800    
 C   -2.202600      0.4346000      0.1926000    
 C   -3.090600       1.484000     -0.4587000    
 C    2.295700      -1.647500      7.9599999E-02
 C   -2.795500     -0.9515000      2.9000000E-03
 H    1.366400      0.5439000      -1.367800    
 H    3.542000      0.8003000     -0.2152000    
 H    2.772900       1.586900       1.160500    
 H    3.271100     -0.7415000       1.720800    
 H    1.534000     -0.4968000       1.718100    
 H   -2.155000      0.6121000       1.273600    
 H  -0.6388000     -3.0999999E-02  -1.153200    
 H    2.563900       2.575900      -1.594500    
 H    1.838400       3.238000     -0.2986000    
 H   -4.106600       1.450100     -5.1199999E-02
 H   -2.693500       2.491900     -0.2974000    
 H   -3.162100       1.323500      -1.540600    
 H   -2.419000      -2.703100     -0.7600000    
 H    1.031800      -3.008900     -0.5069000    


%chk=000100098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100098

0 1
O -0.189806 2.536199 0.934218
O -1.573235 -1.140365 1.416040
O 2.730904 -2.602542 -0.866298
O -3.813057 -0.857865 0.897301
O 0.835143 -1.473188 -1.548040
N -0.761302 0.712897 -0.402696
N 2.212949 2.772376 -0.357487
C 1.602831 1.438726 -0.343920
C 2.355782 0.442384 0.605946
C 0.139416 1.616553 0.117276
C 1.784837 -1.009945 0.691363
C -2.176043 0.751929 -0.029554
C -3.100589 0.970680 -1.248675
C 1.703485 -1.684225 -0.657857
C -2.630960 -0.474693 0.771747
H 1.602685 1.016672 -1.367196
H 3.412413 0.399387 0.275353
H 2.346678 0.867833 1.627300
H 2.429809 -1.610926 1.352734
H 0.763884 -0.979313 1.112038
H -2.270289 1.617572 0.661263
H -0.409323 -0.043663 -1.011542
H 3.232534 2.791444 -0.423825
H 1.814113 3.395053 0.353712
H -4.156319 0.978041 -0.932081
H -2.855938 1.934288 -1.724710
H -2.970768 0.166458 -1.994937
H -1.956361 -1.886236 1.954442
H 2.642028 -3.004332 -1.774213


