%chk=000026899.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026899

0 1
 O   -2.013900      -2.678300      0.7417000    
 N   -4.448000       1.545800     -0.2387000    
 N   -1.702000      -1.042500       2.287700    
 C   -1.146300     -0.5234000     -8.8200003E-02
 C   -1.224600      -1.168900      -1.541300    
 C   -2.152900      0.6922000     -3.9099999E-02
 C   0.3209000     -0.1151000      0.2154000    
 C   -3.627100      0.3394000     -0.3033000    
 C   -1.688500      -1.517000      0.9932000    
 C  -0.8504000     -0.2105000      -2.685600    
 C  -0.4110000      -2.462200      -1.714600    
 C    1.111300      -1.019500      0.8639000    
 C   0.7316000       1.123800     -0.1843000    
 C    2.898100      0.6026000      0.7492000    
 C    2.429100     -0.6525000       1.136900    
 C    2.049400       1.490800      8.8500001E-02
 C    4.307100      0.9946000       1.040400    
 C    5.318000      0.6288000     -7.4400000E-02
 C   -4.383100       2.139300       1.097000    
 C   -5.834200       1.242800     -0.5951000    
 C    5.043100       1.452800      -1.334900    
 C    5.273300     -0.8631000     -0.4143000    
 H   -2.260800      -1.483500      -1.713400    
 H   -2.036700       1.164900      0.9420000    
 H   -1.878700       1.468100     -0.7605000    
 H   -3.725700     -7.8599997E-02  -1.309700    
 H   -3.987700     -0.4160000      0.4044000    
 H   0.2065000      6.9499999E-02  -2.662800    
 H   -1.458100      0.6970000      -2.688300    
 H   -1.025100     -0.6993000      -3.651700    
 H   0.6655000      -2.263000      -1.691700    
 H  -0.6245000      -3.228900     -0.9700000    
 H  -0.6273000      -2.910400      -2.691900    
 H   0.7831000      -2.010200       1.156300    
 H   0.1146000       1.837200     -0.7132000    
 H    3.078100      -1.355500       1.652400    
 H    2.400500       2.472500     -0.2182000    
 H    4.626800      0.5164000       1.976400    
 H    4.358100       2.072700       1.243500    
 H   -1.384000     -0.1120000       2.536900    
 H   -2.019500      -1.630300       3.051300    
 H    6.322600      0.8778000      0.2891000    
 H   -5.130800       2.936100       1.196400    
 H   -4.572900       1.408800       1.892000    
 H   -3.425200       2.635000       1.280500    
 H   -6.440000       2.155900     -0.5995000    
 H   -5.891200      0.8277000      -1.607500    
 H   -6.292500      0.5276000      9.7800002E-02
 H    5.848400       1.303900      -2.063000    
 H    4.108600       1.166100      -1.827100    
 H    5.002500       2.522800      -1.105500    
 H    4.342300      -1.154300     -0.9108000    
 H    5.399900      -1.474400      0.4851000    
 H    6.091900      -1.114900      -1.098000    


%chk=000026899-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026899

0 1
O -2.544933 -2.567422 0.699552
N -4.484822 1.606788 -0.294342
N -1.509580 -1.301564 2.327762
C -1.224372 -0.585762 -0.051189
C -1.297562 -1.270684 -1.480541
C -2.185319 0.660832 0.026982
C 0.226124 -0.165791 0.287537
C -3.686495 0.358691 -0.166200
C -1.791553 -1.593797 1.003641
C -1.039226 -0.276757 -2.637159
C -0.365550 -2.497542 -1.628794
C 1.160495 -1.107563 0.803444
C 0.707117 1.148986 0.048360
C 2.981667 0.557606 0.807880
C 2.501222 -0.754102 1.059924
C 2.050866 1.500921 0.304549
C 4.434523 0.933575 1.059695
C 5.407091 0.695162 -0.147647
C -4.556258 2.384960 0.960108
C -5.834626 1.333653 -0.832799
C 5.026326 1.544882 -1.382218
C 5.523182 -0.801032 -0.521149
H -2.330867 -1.658395 -1.564966
H -2.025407 1.151338 1.006111
H -1.909122 1.396138 -0.748047
H -3.828072 -0.214497 -1.100199
H -4.064314 -0.286774 0.665648
H -0.046977 0.202760 -2.541433
H -1.803578 0.518539 -2.697298
H -1.054485 -0.819870 -3.600179
H 0.700571 -2.207343 -1.612948
H -0.547259 -3.243183 -0.835881
H -0.563815 -2.991924 -2.598155
H 0.833509 -2.131744 1.013612
H 0.032120 1.918718 -0.337602
H 3.186538 -1.507759 1.466699
H 2.381154 2.529422 0.113491
H 4.820851 0.357055 1.923487
H 4.494222 2.005309 1.334467
H -0.837135 -0.579925 2.584147
H -1.917577 -1.893299 3.051199
H 6.405231 1.034526 0.202937
H -5.153253 3.298921 0.790455
H -5.026510 1.814961 1.802994
H -3.548361 2.699368 1.279943
H -6.369709 2.286824 -0.995324
H -5.749421 0.819095 -1.806451
H -6.462969 0.696042 -0.159595
H 5.777303 1.423694 -2.184954
H 4.044802 1.237452 -1.787112
H 4.969463 2.620948 -1.130271
H 4.557337 -1.195029 -0.886823
H 5.833992 -1.411408 0.348108
H 6.272020 -0.945399 -1.322059


