%chk=000051172.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051172

0 1
 O    3.993700      -1.454000     -0.1806000    
 O    3.637000       2.066100     -5.1500000E-02
 N    3.252000     -0.2418000     -0.1397000    
 C  -0.9313000     -8.2000002E-02 -0.1876000    
 C   -2.376400     -2.0000000E-02 -0.2067000    
 C    1.105700      -1.238400      0.4045000    
 C    1.855600     -0.2004000     -0.1484000    
 C  -0.2878000      -1.179400      0.3848000    
 C   -3.088600      0.5672000      0.8409000    
 C  -0.1815000      0.9560000     -0.7403000    
 C    1.212000      0.8968000     -0.7208000    
 C   -3.063200     -0.5590000      -1.296300    
 C    1.768500      -2.425500       1.024400    
 C   -4.482000      0.6150000      0.7992000    
 C   -2.390100       1.155800       2.024700    
 C   -4.456700     -0.5113000      -1.338100    
 C   -5.166100      7.5700000E-02 -0.2904000    
 C    4.052100      0.9077000     -9.0000004E-02
 C    5.547200      0.6715000     -8.8000000E-02
 H  -0.8734000      -1.989600      0.8147000    
 H  -0.6683000       1.811700      -1.202600    
 H    1.739500       1.699500      -1.224400    
 H   -2.527500      -1.020800      -2.122600    
 H    2.187400      -3.084400      0.2577000    
 H    2.538700      -2.126800       1.743000    
 H    1.047400      -3.023800       1.594300    
 H   -5.051400       1.068400       1.606200    
 H   -1.808000      0.3925000       2.551300    
 H   -1.729900       1.973900       1.718900    
 H   -3.100000       1.571700       2.748500    
 H   -4.989400     -0.9311000      -2.186300    
 H   -6.251100      0.1127000     -0.3230000    
 H    5.832600      7.4299999E-02  0.7823000    
 H    5.848300      0.1632000      -1.008100    
 H    6.070200       1.631100     -3.5399999E-02
 H    3.985700      -1.624100      -1.138300    


%chk=000051172-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051172

0 1
O 3.934847 -1.162393 -1.129440
O 3.756108 1.377672 1.436415
N 3.337496 -0.144141 -0.256936
C -0.940381 -0.058451 -0.087670
C -2.436683 -0.061051 -0.071520
C 1.186689 -1.324840 0.176215
C 1.900428 -0.144965 -0.184584
C -0.225689 -1.253468 0.199374
C -3.210126 0.930839 0.613409
C -0.192823 1.102896 -0.420159
C 1.211908 1.055280 -0.478045
C -3.111955 -1.108992 -0.758942
C 1.907287 -2.603477 0.552788
C -4.625656 0.836582 0.565243
C -2.582746 2.056683 1.422734
C -4.518811 -1.182760 -0.798760
C -5.283490 -0.197744 -0.134312
C 4.213973 0.579693 0.568724
C 5.698011 0.340817 0.331750
H -0.789909 -2.147384 0.490960
H -0.711986 2.034356 -0.665578
H 1.787958 1.949318 -0.735842
H -2.514721 -1.858881 -1.290619
H 2.399722 -3.062273 -0.322665
H 2.708314 -2.402691 1.287962
H 1.207975 -3.335349 0.990235
H -5.219681 1.588116 1.099924
H -1.618486 1.760356 1.868546
H -2.391034 2.951942 0.800235
H -3.259331 2.368996 2.237511
H -5.011590 -1.994651 -1.344889
H -6.378355 -0.238843 -0.152783
H 5.959429 -0.720160 0.484031
H 5.988989 0.600108 -0.701780
H 6.258573 0.970319 1.038590
H 3.816647 -0.803060 -2.053826


