%chk=000099858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099858

0 1
 O  -0.2093000       1.662000       1.003400    
 O  -0.8304000      -2.751000     -0.2331000    
 O   0.8487000      0.5759000      -1.933300    
 O    5.121300      0.7672000     -0.2265000    
 N  -0.1498000     -0.5822000      0.3331000    
 N    2.965000      0.6707000      -1.035100    
 C   -2.161900      0.2172000       1.164200    
 C   -2.439700      -1.014200      0.2938000    
 C   -3.153400       1.366700       1.039000    
 C   -3.019900     -0.7022000      -1.089700    
 C   -3.595700       1.632600     -0.3942000    
 C   -4.109800      0.3582000      -1.048900    
 C  -0.7324000      0.5736000      0.8164000    
 C   -1.057200      -1.600900      0.1146000    
 C    1.267600     -0.7216000      6.3100003E-02
 C    2.088900     -0.4638000       1.315700    
 C    1.636500      0.2472000      -1.046500    
 C    3.564900     -0.5899000      0.9859000    
 C    3.966500      0.3545000     -0.1221000    
 H   -2.127400     -9.1899998E-02   2.219200    
 H   -3.082800      -1.718500      0.8323000    
 H   -2.739100       2.286600       1.467600    
 H   -4.043600       1.120600       1.632500    
 H   -3.419400      -1.623800      -1.531000    
 H   -2.227900     -0.3664000      -1.772900    
 H   -2.757900       2.038600     -0.9739000    
 H   -4.385300       2.392500     -0.3978000    
 H   -4.979000     -2.2000000E-02 -0.4990000    
 H   -4.445600      0.5779000      -2.068700    
 H    1.467600      -1.732300     -0.3135000    
 H    1.820400      -1.180100       2.101200    
 H    1.905400      0.5376000       1.722500    
 H    3.808700      -1.609900      0.6687000    
 H    4.161700     -0.3574000       1.874500    
 H    3.235500       1.296500      -1.789000    


%chk=000099858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099858

0 1
O -0.197679 1.642734 1.209143
O -0.760500 -2.791146 -0.192433
O 0.722608 0.591775 -1.851360
O 5.142935 0.792750 -0.473429
N -0.163560 -0.614474 0.504812
N 2.914297 0.654168 -1.092442
C -2.271907 0.214430 1.216669
C -2.493370 -1.038617 0.313533
C -3.248388 1.397454 1.034927
C -2.962234 -0.678222 -1.137262
C -3.606869 1.669808 -0.442967
C -4.089694 0.375577 -1.134756
C -0.792894 0.562132 0.984927
C -1.095135 -1.645477 0.190783
C 1.258739 -0.717356 0.177113
C 2.193479 -0.482063 1.384333
C 1.575126 0.233829 -1.000987
C 3.664986 -0.584949 0.933867
C 3.996934 0.336717 -0.233711
H -2.323761 -0.112823 2.277298
H -3.197055 -1.759902 0.761512
H -2.798608 2.294955 1.499162
H -4.178081 1.171309 1.593344
H -3.275462 -1.609020 -1.643113
H -2.103629 -0.271578 -1.708316
H -2.721654 2.063660 -0.980926
H -4.387237 2.452212 -0.490600
H -4.985539 -0.018061 -0.611284
H -4.391430 0.585336 -2.178201
H 1.393835 -1.754106 -0.200525
H 1.982466 -1.239771 2.158882
H 1.991220 0.512960 1.817277
H 3.903627 -1.621155 0.618211
H 4.359494 -0.336860 1.753051
H 3.136140 1.271772 -1.884032


