%chk=000040594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040594

0 1
 O   0.2746000       2.031300      0.1845000    
 N   -1.842900     -0.5477000      0.8060000    
 N  -0.9215000     -0.2220000      -1.250700    
 C   -2.818100      -1.207600     -2.4800001E-02
 C   -2.195400     -0.9913000      -1.429100    
 C  -0.8378000     -3.7000000E-02  4.1800000E-02
 C   -2.902200      -2.684900      0.3461000    
 C   -4.172000     -0.5189000      0.1158000    
 C   0.3053000      0.6963000      0.6628000    
 C    1.624300      4.8700001E-02  0.3263000    
 C    2.130700     -0.9386000       1.158600    
 C    2.310400      0.4499000     -0.8104000    
 C  -0.9599000       2.669000      0.4878000    
 C    3.351100      -1.538200      0.8473000    
 C    3.530700     -0.1498000      -1.121700    
 C  -0.9283000       4.084700     -4.7400001E-02
 C    4.051000      -1.143900     -0.2928000    
 H   -1.963400      -1.939800      -1.926200    
 H   -2.858200     -0.4202000      -2.088900    
 H   -1.915900     -0.4838000       1.814400    
 H   -1.922000      -3.171000      0.2777000    
 H   -3.255200      -2.813800       1.375600    
 H   -3.590600      -3.218700     -0.3180000    
 H   -4.103700      0.5498000     -0.1188000    
 H   -4.912200     -0.9653000     -0.5569000    
 H   -4.551700     -0.6006000       1.140700    
 H   0.1885000      0.7219000       1.754100    
 H    1.591900      -1.254500       2.047500    
 H    1.921700       1.213600      -1.477600    
 H   -1.809500       2.165400      1.7400000E-02
 H   -1.111200       2.689700       1.573000    
 H    3.755800      -2.312700       1.492200    
 H    4.074800      0.1551000      -2.010900    
 H   -1.862100       4.608800      0.1749000    
 H  -9.6299998E-02   4.644400      0.3925000    
 H  -0.7730000       4.083700      -1.131500    
 H    5.000700      -1.611300     -0.5358000    


%chk=000040594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040594

0 1
O 0.438191 1.853056 -0.563727
N -1.540454 -0.243055 -0.597837
N -2.095055 0.342725 1.561005
C -2.725286 -1.121362 -0.359167
C -3.207494 -0.520993 1.025744
C -1.216841 0.427479 0.578446
C -3.781471 -0.973045 -1.473017
C -2.274510 -2.596649 -0.205853
C 0.109967 1.167345 0.691825
C 1.253105 0.200860 1.025138
C 1.156111 -0.611049 2.183521
C 2.403815 0.115351 0.206865
C -0.461985 2.988553 -0.848995
C 2.201872 -1.498566 2.518617
C 3.448105 -0.777576 0.543454
C 0.011551 3.624459 -2.154744
C 3.352171 -1.586231 1.698510
H -4.112318 0.104881 0.894084
H -3.450627 -1.316395 1.752886
H -0.868228 -0.388633 -1.351150
H -4.063664 0.086633 -1.600436
H -3.402381 -1.350080 -2.441624
H -4.690493 -1.550006 -1.221215
H -1.523472 -2.687909 0.599387
H -3.137753 -3.240297 0.046713
H -1.827516 -2.979077 -1.142997
H -0.006510 1.902853 1.516325
H 0.257887 -0.547132 2.809552
H 2.470628 0.753119 -0.678552
H -1.506662 2.623140 -0.934760
H -0.414241 3.712770 -0.007480
H 2.120467 -2.119755 3.417928
H 4.337022 -0.838144 -0.095169
H -0.624173 4.491357 -2.411749
H 1.055400 3.970868 -2.062111
H -0.040332 2.896555 -2.983145
H 4.163573 -2.275347 1.959225


