%chk=000066148.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066148

0 1
 O   -5.475400      -1.132000      0.5835000    
 N  -0.1776000      0.1326000     -0.5394000    
 N    2.106600       2.367200     -0.4054000    
 N   5.7000000E-02   3.215600      0.1033000    
 C   0.1011000       1.262900      -1.379500    
 C   0.7519000       2.306100     -0.5317000    
 C    2.473100       3.475200      0.4237000    
 C    1.093900       4.032200      0.8070000    
 C   0.9302000     -0.7283000     -0.2503000    
 C   -1.543700     -0.1939000     -0.2495000    
 C    1.342400      -1.642100      -1.204600    
 C    1.562800     -0.6262000      0.9765000    
 C   -1.936800      -1.519800     -0.2614000    
 C   -2.434300      0.8258000      3.3799998E-02
 C    3.070700      -2.391500      0.3079000    
 C    2.421200      -2.480300     -0.9231000    
 C    2.641500      -1.464400       1.257800    
 C   -3.265800      -1.836900      1.9500000E-02
 C   -3.763200      0.5088000      0.3149000    
 C   -4.179100     -0.8227000      0.3078000    
 C    4.223500      -3.288400      0.6092000    
 H   0.7761000      0.9985000      -2.203600    
 H  -0.7911000       1.689900      -1.853300    
 H    3.060900       4.211000     -0.1328000    
 H    3.035600       3.151600       1.304200    
 H   0.9323000       3.966700       1.888300    
 H   0.9982000       5.081500      0.5088000    
 H    2.776800       1.750000     -0.8472000    
 H   0.8435000      -1.718400      -2.166700    
 H    1.232800      9.0800002E-02   1.723000    
 H   -1.256400      -2.333500     -0.4877000    
 H   -2.145500       1.869500      6.0699999E-02
 H    2.745100      -3.199600      -1.670600    
 H    3.137900      -1.387300       2.221500    
 H   -3.577800      -2.877900      9.3999999E-03
 H   -4.469500       1.302800      0.5416000    
 H    4.934900      -2.803500       1.286400    
 H    3.868400      -4.212400       1.076300    
 H    4.773600      -3.544900     -0.3026000    
 H   -5.586300      -2.097100      0.5348000    


%chk=000066148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066148

0 1
O -5.417996 -0.765607 1.316238
N -0.177065 -0.034721 -0.768559
N 1.977139 2.271952 -0.373579
N 0.013804 3.461438 -0.584353
C 0.031226 1.179366 -1.592705
C 0.659615 2.337125 -0.835151
C 2.257712 3.467068 0.459701
C 0.987643 4.347344 0.151130
C 0.933540 -0.863557 -0.442026
C -1.480617 -0.236735 -0.199886
C 2.071229 -0.958962 -1.296615
C 0.967044 -1.607359 0.776807
C -2.024363 -1.545299 -0.092840
C -2.284732 0.869547 0.196030
C 3.203880 -2.520919 0.250600
C 3.173973 -1.771848 -0.949709
C 2.072035 -2.413690 1.103343
C -3.322096 -1.748381 0.417057
C -3.590783 0.669714 0.685196
C -4.110136 -0.637517 0.805642
C 4.387786 -3.397939 0.619073
H 0.649587 0.936812 -2.475667
H -0.943369 1.524804 -1.967151
H 3.198177 3.960971 0.157951
H 2.328903 3.200433 1.533453
H 0.515377 4.739494 1.068088
H 1.238764 5.210126 -0.494046
H 2.500761 1.398480 -0.302697
H 2.098106 -0.427036 -2.253009
H 0.127195 -1.534331 1.473933
H -1.433420 -2.405604 -0.422193
H -1.888413 1.888852 0.126675
H 4.025795 -1.825346 -1.639207
H 2.060307 -2.964372 2.052821
H -3.722459 -2.768402 0.489479
H -4.212300 1.518025 0.986730
H 4.825725 -3.102440 1.591565
H 4.092515 -4.460915 0.707564
H 5.186663 -3.336268 -0.140211
H -5.687251 -1.716699 1.351027


