%chk=000029713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029713

0 1
 O    2.395600     -0.2429000      0.9490000    
 O    2.717300      0.5365000      -1.232000    
 N   -2.550600      -2.076300     -0.5447000    
 N   -3.348900       3.705700     -5.7999998E-02
 C   -2.527900      6.3999998E-03  0.2228000    
 C   -1.197100     -0.4957000      0.2594000    
 C   -1.239000      -1.804000     -0.2271000    
 C   -2.972100       1.351000      0.6414000    
 C   -3.337000     -0.9882000     -0.2766000    
 C   4.3200001E-02  3.8899999E-02  0.6611000    
 C   -2.933600       2.380000     -0.5035000    
 C  -9.8200001E-02  -2.607700     -0.3324000    
 C    1.192700     -0.7532000      0.5616000    
 C    1.120900      -2.056000      7.2099999E-02
 C    3.102900      0.4095000     -7.7900000E-02
 C    4.412600      0.9298000      0.4699000    
 C    5.219400       1.666300     -0.5851000    
 H   -3.994400       1.291900       1.038500    
 H   -2.347900       1.704300       1.472500    
 H   -4.401000      -1.020700     -0.4661000    
 H   -2.883800      -2.952900     -0.9216000    
 H   0.1101000       1.053800       1.043500    
 H   -3.592700       2.056700      -1.317400    
 H   -1.919700       2.443200     -0.9160000    
 H  -0.1532000      -3.622000     -0.7131000    
 H    2.022600      -2.660000      1.2000001E-03
 H   -3.251500       4.366700     -0.8275000    
 H   -2.724200       4.030000      0.6790000    
 H    4.992000      7.9499997E-02  0.8443000    
 H    4.193800       1.609400       1.300000    
 H    4.663500       2.524700     -0.9768000    
 H    6.159200       2.031900     -0.1601000    
 H    5.457400       1.008900      -1.428000    


%chk=000029713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029713

0 1
O 2.538603 -0.529016 -0.022687
O 2.320462 1.806705 0.198161
N -2.777571 -2.270305 0.101638
N -3.041610 3.694465 -0.611345
C -2.558053 0.001669 0.321622
C -1.235989 -0.588243 0.178031
C -1.404734 -2.011307 0.042393
C -2.883117 1.466576 0.473293
C -3.465773 -1.056952 0.270821
C 0.068073 -0.023109 0.164889
C -2.708472 2.273852 -0.841392
C -0.304445 -2.884511 -0.109775
C 1.152350 -0.907379 0.012765
C 0.980621 -2.316012 -0.124268
C 3.028071 0.784525 0.065185
C 4.546785 0.749034 -0.036404
C 5.188968 2.131020 0.175668
H -3.923436 1.607402 0.818178
H -2.228567 1.917469 1.248491
H -4.551655 -1.033805 0.346879
H -3.208782 -3.189670 0.043918
H 0.229270 1.049826 0.269618
H -3.406818 1.872045 -1.599036
H -1.676916 2.104836 -1.232374
H -0.433077 -3.967276 -0.212423
H 1.872979 -2.937992 -0.238947
H -3.148798 4.246945 -1.467588
H -2.419995 4.157468 0.060597
H 4.806597 0.337627 -1.031413
H 4.921475 0.010896 0.697524
H 4.961531 2.523642 1.181529
H 6.285693 2.063589 0.066237
H 4.806730 2.861485 -0.557386


