%chk=000040001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040001

0 1
 I   0.6700000       2.419800      -1.358600    
 I   -2.104000      -2.947300     -0.4271000    
 I    3.771600      -2.539400      0.4564000    
 O   -2.461600     -0.8239000       1.729300    
 O   -4.363000     -0.6455000      0.5053000    
 O    3.230100       1.396800       1.738500    
 N    3.132900      0.5327000     -0.4512000    
 C   -2.499400      0.8382000     -6.0000003E-04
 C   -1.741100      0.2337000      -1.196900    
 C   -3.509200       1.894100     -0.4870000    
 C  -0.4233000     -0.3947000     -0.8105000    
 C   -3.224200     -0.2692000      0.7529000    
 C   -4.236500       2.583600      0.6608000    
 C   0.7388000      0.3678000     -0.8126000    
 C  -0.3907000      -1.738000     -0.4552000    
 C    1.951200     -0.2220000     -0.4546000    
 C   0.8215000      -2.327600     -9.7300000E-02
 C    1.992600      -1.569500     -9.7000003E-02
 C    3.678100       1.268700      0.6037000    
 C    4.966300       1.941900      0.2015000    
 H   -1.811400       1.329700      0.6991000    
 H   -1.597500      0.9831000      -1.981000    
 H   -2.380700     -0.4770000      -1.732300    
 H   -4.249500       1.438800      -1.156300    
 H   -2.984300       2.661000      -1.069100    
 H   -4.861300       1.887800       1.227900    
 H   -4.889500       3.370500      0.2696000    
 H   -3.525100       3.048900       1.350600    
 H   0.8535000      -3.378700      0.1823000    
 H    3.571200      0.6316000      -1.364400    
 H   -2.934500      -1.544400       2.197800    
 H    5.656000       1.208500     -0.2259000    
 H    5.435500       2.396700       1.078300    
 H    4.757400       2.720900     -0.5368000    


%chk=000040001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040001

0 1
I 0.573329 2.461140 -1.280041
I -1.999267 -3.227322 -0.664083
I 3.944101 -2.530502 0.036320
O -2.024331 -0.289283 1.951892
O -4.173333 -0.557460 1.116740
O 3.460108 0.486789 1.821901
N 3.104657 0.655300 -0.482761
C -2.571598 0.941854 -0.050772
C -1.874092 0.162125 -1.225001
C -3.755925 1.775926 -0.597591
C -0.523247 -0.446517 -0.890439
C -3.043302 -0.028205 1.026770
C -4.406920 2.688138 0.463200
C 0.665540 0.338497 -0.840507
C -0.347818 -1.833778 -0.617040
C 1.954043 -0.184103 -0.526698
C 0.907352 -2.398326 -0.315049
C 2.052118 -1.580257 -0.284674
C 3.803090 0.952173 0.703618
C 5.023436 1.842651 0.502363
H -1.826462 1.613720 0.412741
H -1.748599 0.892418 -2.045818
H -2.566293 -0.617754 -1.588077
H -4.518001 1.089554 -1.013853
H -3.377020 2.394151 -1.435499
H -4.851961 2.092862 1.279888
H -5.214370 3.293930 0.014077
H -3.667360 3.383512 0.903282
H 0.997742 -3.469305 -0.127441
H 3.356611 1.170190 -1.329816
H -2.341630 -0.956964 2.619843
H 5.917980 1.204092 0.380051
H 5.167979 2.458026 1.403417
H 4.943342 2.500328 -0.381342


