%chk=000060530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060530

0 1
 O    3.545600      -1.722700     -0.2860000    
 O    4.657700      0.1999000      0.6490000    
 N   -2.969100       1.059300     -0.1403000    
 C   -3.231000      -1.457300      0.4571000    
 C   -1.632000      0.4477000      8.5600004E-02
 C   -1.747900      -1.074500      0.3236000    
 C   -3.908800      -1.135400     -0.8825000    
 C   -3.864300     -0.5632000       1.534300    
 C   -3.693800      0.3486000      -1.218500    
 C   -3.755800      0.9105000       1.107800    
 C  -0.6472000      0.7734000      -1.039700    
 C   0.7775000      0.6553000     -0.5763000    
 C    1.435200     -0.5654000     -0.6945000    
 C    1.416500       1.777800     -3.3900000E-02
 C    2.741900     -0.6248000     -0.2555000    
 C    2.740400       1.690700      0.4031000    
 C    3.377100      0.4730000      0.2786000    
 C    4.757900      -1.192700      0.2881000    
 H   -3.341600      -2.516800      0.7090000    
 H   -1.233300      0.9015000       1.005100    
 H   -1.210100      -1.347200       1.239800    
 H   -1.311500      -1.655900     -0.4961000    
 H   -4.981400      -1.355200     -0.8228000    
 H   -3.491300      -1.762900      -1.678900    
 H   -3.354300     -0.7150000       2.493100    
 H   -4.917400     -0.8323000       1.677800    
 H   -3.153800      0.4455000      -2.167700    
 H   -4.662900      0.8334000      -1.392100    
 H   -4.757400       1.336800      0.9681000    
 H   -3.298800       1.500900       1.911900    
 H  -0.8075000       1.801900      -1.392300    
 H  -0.8113000      0.1392000      -1.920500    
 H   0.9558000      -1.438900      -1.121100    
 H   0.8908000       2.725100      5.5300001E-02
 H    3.244100       2.552800      0.8252000    
 H    5.570400      -1.309500     -0.4383000    
 H    5.002900      -1.771300       1.186200    


%chk=000060530-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060530

0 1
O 3.734852 -1.660786 -0.672725
O 4.743141 0.029951 0.710171
N -3.065226 1.046039 -0.287246
C -3.238090 -1.391905 0.607917
C -1.692876 0.553407 0.088164
C -1.747750 -0.965211 0.493272
C -3.890907 -1.300624 -0.798457
C -3.980255 -0.423085 1.569809
C -3.686450 0.166505 -1.327798
C -3.926869 1.017198 0.937370
C -0.661089 0.865521 -1.030489
C 0.778299 0.684509 -0.566249
C 1.516911 -0.482359 -0.924933
C 1.387884 1.674456 0.249352
C 2.822175 -0.598158 -0.442029
C 2.718469 1.547317 0.732696
C 3.412606 0.391108 0.368950
C 4.976097 -1.286070 0.057487
H -3.303094 -2.427786 0.988805
H -1.402017 1.155455 0.972117
H -1.218004 -1.136845 1.448645
H -1.244172 -1.592903 -0.268710
H -4.966688 -1.552693 -0.728764
H -3.424958 -2.037756 -1.480188
H -3.494930 -0.438733 2.564681
H -5.026288 -0.756150 1.710102
H -3.043087 0.182481 -2.224556
H -4.650402 0.623580 -1.616344
H -4.936104 1.358566 0.642094
H -3.526001 1.754476 1.656732
H -0.836010 1.910337 -1.349546
H -0.856147 0.216611 -1.905716
H 1.079431 -1.257464 -1.560868
H 0.817372 2.574375 0.506762
H 3.181933 2.318574 1.353081
H 5.802699 -1.186468 -0.667472
H 5.176844 -2.043171 0.835583


