%chk=000006828.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006828

0 1
 O    3.185100     -3.0000000E-03 -3.9999999E-04
 N    1.188600       1.140500     -0.3640000    
 N    1.186300      -1.142800      0.3641000    
 C    1.949200     -1.9000000E-03 -3.0000001E-04
 C    1.730300       2.096900      -1.338000    
 C    1.725600      -2.100300       1.338400    
 C  -0.1146000       1.361500      0.2223000    
 C  -0.1174000      -1.361200     -0.2224000    
 C    2.530400       3.188500     -0.6577000    
 C    2.523300      -3.193900      0.6586000    
 C  -0.3412000      0.8926000       1.489800    
 C  -0.3427000     -0.8924000      -1.490100    
 C   -1.053500       2.028300     -0.5202000    
 C   -1.057700      -2.025800      0.5203000    
 C   -1.598100       1.106000       2.055900    
 C   -1.600000      -1.103300      -2.056200    
 C   -2.310300       2.241800      4.6000000E-02
 C   -2.314900      -2.236800     -4.6000000E-02
 C   -2.582500       1.780600       1.334000    
 C   -2.586000      -1.775500      -1.334200    
 H    2.412500       1.539400      -1.992600    
 H   0.9754000       2.521700      -1.998900    
 H    2.409100      -1.544100       1.992800    
 H   0.9697000      -2.523100       1.999500    
 H    1.895600       3.782600      7.7999998E-03
 H    3.345600       2.773300     -5.6499999E-02
 H    2.966900       3.861600      -1.402100    
 H    1.887200      -3.786800     -6.8999999E-03
 H    3.339500      -2.780800      5.7300001E-02
 H    2.958300      -3.867700       1.403300    
 H   0.4206000      0.4410000       2.116700    
 H   0.4200000     -0.4425000      -2.117000    
 H  -0.9103000       2.374000      -1.535300    
 H  -0.9154000      -2.371300       1.535500    
 H   -1.804700      0.7631000       3.065500    
 H   -1.805700     -0.7602000      -3.065900    
 H   -3.080400       2.759400     -0.5186000    
 H   -3.086200      -2.752500      0.5187000    
 H   -3.560600       1.948200       1.775300    
 H   -3.564300      -1.941100      -1.775600    


%chk=000006828-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006828

0 1
O 3.140303 -0.003318 -0.000494
N 1.130002 1.138465 -0.387214
N 1.127530 -1.140455 0.387085
C 1.866260 -0.001788 -0.000075
C 1.896020 2.202055 -1.100366
C 1.891141 -2.205370 1.100830
C -0.143099 1.497560 0.187117
C -0.146237 -1.497085 -0.187321
C 2.535637 3.227637 -0.142244
C 2.528421 -3.232905 0.143240
C -0.378019 1.346826 1.578713
C -0.380577 -1.346837 -1.579081
C -1.154897 2.064669 -0.628346
C -1.159389 -2.061547 0.628294
C -1.611090 1.743083 2.138034
C -1.614354 -1.740899 -2.138384
C -2.380654 2.473643 -0.060587
C -2.385909 -2.468289 0.060568
C -2.617738 2.313192 1.324089
C -2.622389 -2.308290 -1.324259
H 2.684141 1.700336 -1.685958
H 1.208196 2.705987 -1.802598
H 2.680423 -1.705040 1.686028
H 1.202259 -2.707337 1.803434
H 1.770337 3.722298 0.482576
H 3.264623 2.723712 0.513938
H 3.065354 4.008215 -0.719272
H 1.762008 -3.726188 -0.481301
H 3.258536 -2.731001 -0.513242
H 3.056388 -4.014351 0.720689
H 0.407688 0.923926 2.213437
H 0.406156 -0.926106 -2.213963
H -0.991313 2.163099 -1.706986
H -0.996235 -2.159662 1.707027
H -1.779203 1.622144 3.214316
H -1.781976 -1.620383 -3.214791
H -3.155594 2.905901 -0.703603
H -3.161873 -2.898497 0.703723
H -3.571480 2.627238 1.761859
H -3.576697 -2.620638 -1.762009


