%chk=000045820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045820

2 1
 O   0.5392000     -0.3162000     -0.5468000    
 N   -3.046000     -2.7000001E-03  0.2997000    
 N    4.221000     -3.7300002E-02 -5.9000002E-03
 C   -1.860300     -0.3630000     -0.5178000    
 C   -3.042200       1.495200      0.6336000    
 C   -4.344500     -0.3206000     -0.4543000    
 C   -3.056300     -0.7862000       1.619300    
 C  -0.5996000     -7.0000002E-03  0.2452000    
 C    2.930500     -0.3444000     -0.7519000    
 C    1.747600      2.0999999E-03  0.1305000    
 C   -3.032100       2.292300     -0.6523000    
 C   -4.410400      -1.807200     -0.7282000    
 C    4.278100       1.448400      0.3186000    
 C    4.263200     -0.8407000       1.286000    
 C    5.411800     -0.4127000     -0.8759000    
 H   -1.845600      -1.445600     -0.6849000    
 H   -1.906600      9.8499998E-02  -1.509200    
 H   -3.962300       1.700000       1.195200    
 H   -2.207200       1.737800       1.295600    
 H   -5.190600      1.4500000E-02  0.1555000    
 H   -4.344100      0.2038000      -1.412500    
 H   -2.354100     -0.3207000       2.317400    
 H   -4.061500     -0.7334000       2.049500    
 H   -2.760500      -1.822700       1.435400    
 H  -0.5367000       1.060100      0.4672000    
 H  -0.5207000     -0.5713000       1.179700    
 H    2.920300      0.2354000      -1.682700    
 H    2.930100      -1.408400      -1.018000    
 H    1.751400     -0.5694000       1.062100    
 H    1.720000       1.069900      0.3648000    
 H   -3.025600       3.357200     -0.3869000    
 H   -2.138400       2.142400      -1.261900    
 H   -3.922300       2.160100      -1.270300    
 H   -5.362900      -2.022600      -1.228000    
 H   -3.635200      -2.158500      -1.413600    
 H   -4.402800      -2.425000      0.1728000    
 H    3.563100       1.692100       1.108100    
 H    5.286300       1.675700      0.6805000    
 H    4.073900       2.016100     -0.5940000    
 H    5.278800     -0.7745000       1.690300    
 H    3.573600     -0.4169000       2.020100    
 H    4.021500      -1.883800       1.061500    
 H    5.355700      -1.483200      -1.094400    
 H    5.361200      0.1708000      -1.800000    
 H    6.331800     -0.1828000     -0.3301000    


%chk=000045820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045820

2 1
O 0.567315 -0.164061 -0.076741
N -3.197897 -0.026916 0.307259
N 4.357992 -0.116303 -0.058424
C -1.778889 -0.202782 -0.255904
C -3.483905 1.452407 0.714444
C -4.229734 -0.449245 -0.790799
C -3.401511 -0.893003 1.551456
C -0.631843 0.269473 0.658933
C 2.879031 -0.391305 -0.400117
C 1.836497 0.223407 0.555371
C -3.334185 2.491472 -0.400744
C -4.208597 -1.930372 -1.182558
C 4.669631 1.382204 -0.106741
C 4.719163 -0.671894 1.322219
C 5.215588 -0.829523 -1.114985
H -1.640762 -1.275804 -0.462407
H -1.732790 0.340148 -1.212935
H -4.513567 1.450281 1.112553
H -2.803565 1.674321 1.554593
H -5.216689 -0.166082 -0.384606
H -4.019379 0.186287 -1.665964
H -2.830715 -0.471307 2.391917
H -4.471704 -0.897059 1.808996
H -3.066728 -1.919944 1.349019
H -0.622490 1.371024 0.787689
H -0.659841 -0.213019 1.657420
H 2.705077 -0.002557 -1.417703
H 2.750925 -1.486604 -0.420060
H 1.901501 -0.199976 1.578565
H 1.913715 1.328590 0.612366
H -3.532522 3.483439 0.042518
H -2.317644 2.530311 -0.828638
H -4.062415 2.362794 -1.217312
H -4.983733 -2.073589 -1.956370
H -3.254949 -2.252438 -1.633062
H -4.467078 -2.605840 -0.351114
H 4.132922 1.900808 0.700589
H 5.752697 1.521871 0.029162
H 4.364562 1.782306 -1.085715
H 5.801910 -0.552039 1.478933
H 4.176033 -0.116211 2.100261
H 4.455365 -1.739865 1.362131
H 5.011358 -1.910252 -1.076573
H 4.964416 -0.433996 -2.110816
H 6.278031 -0.643555 -0.897103


