%chk=000040654.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040654

0 1
 O   0.2902000       1.085000      0.5803000    
 O    2.077400      -1.420200     -0.7514000    
 O    1.817400      -1.790700       1.505700    
 O    2.710600       2.124300       1.105400    
 N    2.961800       2.931600      -1.034900    
 C   -2.440500       1.713600      0.1227000    
 C   -1.902500      0.3242000      2.1299999E-02
 C  -0.5522000      6.2100001E-02  0.2534000    
 C  -6.7699999E-02  -1.242200      0.1529000    
 C   -2.768300     -0.7176000     -0.3112000    
 C   -3.502200       1.852600       1.229100    
 C   -3.008200       2.222500      -1.215100    
 C  -0.9336000      -2.284100     -0.1797000    
 C   -2.283800      -2.021700     -0.4117000    
 C  -0.4445000      -3.691300     -0.2945000    
 C    1.344900      -1.512500      0.3985000    
 C   0.9384000       1.756600     -0.4966000    
 C    2.279800       2.274600     -3.4299999E-02
 C    3.483100      -1.666500     -0.6397000    
 H   -1.646200       2.414300      0.4010000    
 H   -3.823600     -0.5384000     -0.4968000    
 H   -4.401200       1.265600       1.012300    
 H   -3.807800       2.898900       1.338900    
 H   -3.105500       1.515600       2.193400    
 H   -2.255500       2.153100      -2.008200    
 H   -3.309700       3.272200      -1.129500    
 H   -3.886000       1.650200      -1.533700    
 H   -2.972200      -2.821400     -0.6720000    
 H   0.3096000      -3.772400      -1.084300    
 H  -1.3400000E-02  -4.026900      0.6545000    
 H   -1.254300      -4.385200     -0.5455000    
 H    1.093600       1.090800      -1.354200    
 H   0.3257000       2.607100     -0.8139000    
 H    3.660300      -2.685700     -0.2837000    
 H    3.940900     -0.9361000      3.4000002E-02
 H    3.927700      -1.557100      -1.632200    
 H    3.878600       3.331900     -0.8658000    
 H    2.581200       3.041400      -1.969600    


%chk=000040654-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040654

0 1
O 0.462325 1.051460 0.180957
O 2.177831 -1.088592 -0.674298
O 1.789839 -2.427822 1.184624
O 2.903682 3.114490 -1.573941
N 2.679057 2.354364 0.628594
C -2.328532 1.854866 -0.199538
C -1.876012 0.393029 -0.169089
C -0.511991 0.031872 -0.017491
C -0.096051 -1.326532 0.065078
C -2.812125 -0.664730 -0.272108
C -3.392836 2.145467 0.891510
C -2.858854 2.250474 -1.604805
C -1.059455 -2.376206 -0.004350
C -2.414813 -2.014375 -0.194108
C -0.666973 -3.838566 0.106755
C 1.346237 -1.672990 0.286850
C 1.024407 1.663793 -1.044831
C 2.291380 2.448693 -0.686773
C 3.629880 -1.358311 -0.517757
H -1.447774 2.482522 0.029698
H -3.874598 -0.426802 -0.399227
H -4.321300 1.570562 0.716753
H -3.658703 3.218636 0.888833
H -3.015470 1.884959 1.896387
H -2.101078 2.074546 -2.390150
H -3.136132 3.320567 -1.626218
H -3.757493 1.662573 -1.869819
H -3.167761 -2.806753 -0.270110
H 0.107313 -4.113945 -0.633170
H -0.243377 -4.060648 1.101713
H -1.542172 -4.488830 -0.058402
H 1.293378 0.876064 -1.769873
H 0.296285 2.359884 -1.503446
H 3.980197 -0.998347 0.463758
H 4.106638 -0.802247 -1.336731
H 3.824585 -2.440640 -0.600019
H 3.501935 2.863739 0.946488
H 2.110830 1.801979 1.273154


