%chk=000127558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127558

0 1
 O  -0.4808000      -2.666200      0.6081000    
 N    2.787400      -1.594900      0.3896000    
 N    1.869000      -2.626000      0.5462000    
 N  -0.3370000      0.1737000      0.1038000    
 N   -1.664800      -1.149300      -1.318600    
 N   -4.058000     -0.8730000      -1.375500    
 C    2.069700     -0.4288000      0.1787000    
 C   0.7414000     -0.6277000      0.2285000    
 C   0.5901000      -2.094900      0.4801000    
 C    2.713700      0.8641000     -5.9599999E-02
 C    4.142600      -1.889100     -2.1100000E-02
 C    2.257100      -3.969600      0.8893000    
 C   -1.609500     -0.1704000     -0.3895000    
 C   -2.740600      0.4958000      8.8100001E-02
 C    3.036400       1.699200       1.014900    
 C    3.011100       1.273800      -1.363300    
 C   -3.975600      9.8600000E-02 -0.4497000    
 C    3.649700       2.931400      0.7880000    
 C    3.624500       2.506000      -1.590100    
 C   -2.666600       1.512800       1.055600    
 C    3.943800       3.334600     -0.5143000    
 C   -5.121600      0.7450000      7.1999999E-03
 C   -3.827500       2.141800       1.494200    
 C   -5.056300       1.757200      0.9692000    
 C   -2.898300      -1.444200      -1.759600    
 H  -0.1434000       1.170000      0.1157000    
 H    4.164000      -2.224000      -1.063400    
 H    4.590700      -2.666500      0.6059000    
 H    4.786600      -1.008000      6.8000004E-02
 H    2.846600      -4.397500      7.4299999E-02
 H    1.365800      -4.583200       1.046100    
 H    2.843800      -3.951400       1.811800    
 H    2.814100       1.399600       2.036500    
 H    2.769000      0.6394000      -2.212900    
 H    3.898400       3.576700       1.625400    
 H    3.853700       2.820100      -2.604200    
 H   -1.722400       1.831200       1.488800    
 H    4.421400       4.293900     -0.6910000    
 H   -6.095600      0.4626000     -0.3878000    
 H   -3.774900       2.926700       2.242600    
 H   -5.967500       2.242800       1.306400    
 H   -2.971300      -2.226600      -2.505100    


%chk=000127558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127558

0 1
O -0.120799 -2.968666 1.963529
N 2.881317 -1.677552 0.589460
N 2.112009 -2.735435 1.150700
N -0.506338 -0.270221 0.846619
N -0.951026 0.001281 -1.466254
N -3.107971 0.801921 -2.296235
C 1.987687 -0.610907 0.306971
C 0.707649 -0.988139 0.714940
C 0.774370 -2.323271 1.328201
C 2.538460 0.663256 -0.198780
C 3.949333 -2.086897 -0.349972
C 2.728119 -3.872315 1.823473
C -1.359848 0.119076 -0.178209
C -2.682404 0.643146 0.150938
C 3.767540 1.153326 0.331804
C 1.859742 1.425460 -1.184567
C -3.533702 0.957582 -0.972696
C 4.302403 2.377705 -0.118341
C 2.399623 2.651429 -1.629387
C -3.171499 0.857155 1.475399
C 3.620131 3.132914 -1.102094
C -4.852563 1.450972 -0.735563
C -4.468336 1.343417 1.683356
C -5.314528 1.636620 0.571502
C -1.852167 0.353337 -2.450748
H -0.968431 -0.450905 1.744163
H 3.542117 -2.696383 -1.180430
H 4.721366 -2.663405 0.185830
H 4.412873 -1.179636 -0.762891
H 3.223402 -4.558161 1.113142
H 1.899203 -4.408647 2.316265
H 3.454107 -3.546013 2.591735
H 4.277717 0.585956 1.118953
H 0.926415 1.028148 -1.599994
H 5.242246 2.748940 0.305331
H 1.866667 3.229287 -2.392625
H -2.538024 0.661873 2.348640
H 4.034154 4.086430 -1.448607
H -5.472390 1.675674 -1.608760
H -4.834211 1.504408 2.702949
H -6.327467 2.014978 0.746926
H -1.488045 0.237962 -3.477372


