%chk=000066591.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066591

0 1
 O    1.219600      -2.335800      0.3821000    
 N   0.9391000     -1.2300000E-02  6.0000003E-04
 N    1.755300       1.082500     -0.1802000    
 C    3.092000     -0.8092000      0.1283000    
 C    2.976800      0.6588000     -0.1130000    
 C  -0.4446000      6.0600001E-02 -9.4999997E-03
 C    1.646300      -1.208700      0.1961000    
 C   -1.094200       1.226500      0.4123000    
 C   -1.207200      -1.030900     -0.4410000    
 C   -3.240000      0.2082000     -2.9300001E-02
 C    4.173800       1.530900     -0.2576000    
 C   -2.487100       1.300100      0.4023000    
 C   -2.600200     -0.9573000     -0.4511000    
 C   -4.729500      0.2865000     -3.9999999E-02
 H    3.592200      -1.299900     -0.7086000    
 H    3.594700      -1.006100       1.076800    
 H  -0.5296000       2.088300      0.7597000    
 H  -0.7560000      -1.941500     -0.8221000    
 H    3.872500       2.567400     -0.4296000    
 H    4.774100       1.184900      -1.103000    
 H    4.773800       1.476400      0.6544000    
 H   -2.974300       2.212300      0.7364000    
 H   -3.176200      -1.811400     -0.7974000    
 H   -5.130900     -6.4099997E-02  0.9160000    
 H   -5.070200       1.313800     -0.2080000    
 H   -5.151400     -0.3260000     -0.8441000    


%chk=000066591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066591

0 1
O 1.357195 -2.540571 -0.267310
N 0.964376 -0.183858 -0.066684
N 1.755971 1.013392 0.036430
C 3.207054 -0.841057 -0.119725
C 3.027771 0.655176 0.007744
C -0.459602 -0.054648 -0.055701
C 1.757222 -1.350279 -0.165327
C -1.042257 1.234268 0.049027
C -1.293536 -1.199370 -0.151580
C -3.300677 0.240123 -0.030644
C 4.127372 1.669454 0.098667
C -2.444768 1.367864 0.058825
C -2.694321 -1.036865 -0.139345
C -4.811232 0.393154 0.013936
H 3.750555 -1.136459 -1.035533
H 3.747647 -1.287477 0.734583
H -0.392808 2.109585 0.117625
H -0.847192 -2.192152 -0.237536
H 3.705332 2.683476 0.186555
H 4.778036 1.632397 -0.795664
H 4.773402 1.476740 0.976154
H -2.881781 2.370868 0.137179
H -3.328056 -1.928793 -0.216638
H -5.188018 0.337502 1.054095
H -5.132694 1.365752 -0.399044
H -5.316189 -0.404223 -0.559590


