%chk=000039164.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039164

0 1
 O    2.539200       1.687200     -0.2894000    
 N   -5.342000      0.2341000     -0.1830000    
 N   0.7500000     -0.5561000     -0.4691000    
 N   0.1531000     -0.4613000      0.6324000    
 C    4.318300      0.3285000      1.5100000E-02
 C   -3.957700      5.8600001E-02  2.2299999E-02
 C    2.943200      0.3898000     -0.1855000    
 C    2.114500     -0.7279000     -0.2659000    
 C   -3.427600      -1.226000      0.1433000    
 C   -3.118400       1.169900      0.1042000    
 C    4.922300     -0.9340000      0.1467000    
 C   -1.226400     -0.2874000      0.4275000    
 C    4.766100       1.675800      3.2400001E-02
 C    2.736100      -1.973200     -0.1323000    
 C   -2.058600      -1.399400      0.3465000    
 C   -1.749400      0.9964000      0.3074000    
 C    4.114500      -2.077000      7.0699997E-02
 C   -6.112000     -0.7695000     -0.8905000    
 C   -6.015200       1.413800      0.3232000    
 C    3.650100       2.457800     -0.1561000    
 H   -4.054800      -2.111700      9.6400000E-02
 H   -3.497400       2.182800      2.2000000E-03
 H    5.992200      -1.030500      0.3046000    
 H    5.777600       2.032400      0.1659000    
 H    2.140300      -2.881700     -0.1866000    
 H   -1.654000      -2.403400      0.4433000    
 H   -1.101900       1.867100      0.3681000    
 H    4.569100      -3.059300      0.1711000    
 H   -6.357100      -1.607800     -0.2299000    
 H   -5.571100      -1.147700      -1.765300    
 H   -7.056400     -0.3543000      -1.260200    
 H   -5.847300       2.270100     -0.3383000    
 H   -5.674200       1.667900       1.333200    
 H   -7.097500       1.254500      0.3871000    
 H    3.487800       3.524100     -0.2169000    


%chk=000039164-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039164

0 1
O 2.983550 2.051195 0.100943
N -5.543989 0.187537 -0.149029
N 0.856942 0.043515 0.028671
N 0.011969 -0.966581 -0.011678
C 4.615738 0.401405 0.125672
C -4.174735 -0.071661 -0.111291
C 3.213543 0.661541 0.093469
C 2.225600 -0.352914 0.058707
C -3.672233 -1.415410 -0.125827
C -3.218782 1.002888 -0.057992
C 5.070687 -0.940955 0.123710
C -1.353752 -0.593655 -0.040453
C 5.269462 1.702578 0.153995
C 2.716181 -1.691147 0.057895
C -2.293219 -1.660653 -0.090791
C -1.845616 0.747132 -0.024105
C 4.103497 -1.972130 0.089619
C -6.503094 -0.923938 -0.226215
C -6.038999 1.571948 -0.112141
C 4.268569 2.649583 0.138792
H -4.360678 -2.263553 -0.162482
H -3.563018 2.040897 -0.046092
H 6.140111 -1.174404 0.148107
H 6.339498 1.898247 0.182091
H 1.977783 -2.498070 0.031820
H -1.906626 -2.685483 -0.101420
H -1.118894 1.564880 0.014397
H 4.433083 -3.017231 0.087569
H -6.443744 -1.581583 0.664502
H -6.330181 -1.548316 -1.125259
H -7.526401 -0.521768 -0.284421
H -5.689229 2.157466 -0.985906
H -5.712593 2.098380 0.806612
H -7.139921 1.566531 -0.126067
H 4.264893 3.736325 0.149198


