%chk=000001458.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001458

0 1
 O   -1.616300      -1.294000     -0.6014000    
 O   -1.090900       2.218500     -0.4283000    
 O   -3.269300      0.9830000       1.612800    
 O   -3.601400      -3.125600      9.3199998E-02
 N   0.6765000     -0.6814000     -0.3280000    
 N    2.266200      -2.089100      0.3258000    
 N    1.970800       1.362700     -0.5266000    
 N    4.311600      0.9801000      4.8099998E-02
 N    5.137900      -1.166300      0.7094000    
 C   -1.236500      0.9479000      0.1994000    
 C   -2.730100      0.5580000      0.3621000    
 C  -0.6712000     -0.1945000     -0.7206000    
 C   -2.621800     -0.9670000      0.3673000    
 C  -0.5351000       1.060100       1.571300    
 C   -3.667000       1.115700     -0.7169000    
 C  -0.6563000      0.1316000      -2.229400    
 C   -3.892800      -1.739900      5.3900000E-02
 C    1.817700      5.6899998E-02 -0.2596000    
 C   0.9894000      -1.960700      3.0999999E-02
 C   -1.717400       3.236500      0.3318000    
 C    2.796000     -0.8357000      0.1484000    
 C    4.083700     -0.3313000      0.3005000    
 C    3.256500       1.734500     -0.3440000    
 H   -2.247100      -1.321800       1.337000    
 H   -1.092500       1.675900       2.286100    
 H  -0.4129000      8.1400000E-02   2.047400    
 H   0.4427000       1.543300       1.503600    
 H   -3.447600      0.7228000      -1.710200    
 H   -4.705900      0.8421000     -0.4918000    
 H   -3.686800       2.204100     -0.7883000    
 H   3.0000001E-04  0.9761000      -2.461400    
 H  -0.2966000     -0.7322000      -2.802700    
 H   -1.649300      0.3537000      -2.622100    
 H   -4.268100      -1.523600     -0.9507000    
 H   -4.681000      -1.529400      0.7820000    
 H   -4.154600      0.5936000       1.711800    
 H   0.2672000      -2.765000      6.4499997E-02
 H   -1.914600       4.068300     -0.3533000    
 H   -1.010800       3.624900       1.073400    
 H   -2.657300       3.012700      0.8299000    
 H   -2.893500      -3.295900     -0.5515000    
 H    3.475000       2.779400     -0.5370000    
 H    6.064700     -0.7763000      0.8132000    
 H    4.970200      -2.145200      0.8988000    


%chk=000001458-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001458

0 1
O -1.664758 -1.189857 -0.819681
O -1.417217 2.298591 -0.518332
O -3.290898 0.829135 1.789352
O -3.295805 -3.410454 -0.023570
N 0.575070 -0.571629 -0.322046
N 2.085830 -2.077041 0.544216
N 2.140000 1.342817 -0.731984
N 4.449696 0.799548 -0.070570
N 5.058896 -1.296865 0.838145
C -1.388510 1.025854 0.206852
C -2.858087 0.447645 0.432322
C -0.740701 -0.037146 -0.810135
C -2.595485 -1.077485 0.338061
C -0.619983 1.129306 1.536063
C -3.867126 0.949403 -0.613614
C -0.570231 0.456316 -2.246743
C -3.758777 -2.019478 0.033653
C 1.821714 0.075349 -0.327057
C 0.800811 -1.853970 0.211123
C -1.638155 3.508436 0.283542
C 2.734021 -0.874968 0.212067
C 4.095223 -0.466316 0.331872
C 3.468541 1.614732 -0.568875
H -2.089833 -1.416212 1.266315
H -1.176335 1.754541 2.249525
H -0.492154 0.139973 2.006038
H 0.377853 1.562589 1.357976
H -3.597967 0.607804 -1.626773
H -4.883929 0.572880 -0.386461
H -3.893128 2.049747 -0.624391
H 0.200433 1.241607 -2.280982
H -0.267952 -0.396313 -2.879430
H -1.514048 0.877992 -2.621475
H -4.252482 -1.730819 -0.915395
H -4.497478 -1.996245 0.853508
H -4.264967 0.666545 1.870077
H -0.001407 -2.579239 0.303358
H -1.764088 4.315415 -0.455811
H -0.764617 3.737540 0.921623
H -2.543544 3.430820 0.916893
H -2.618024 -3.467797 -0.745538
H 3.794941 2.613093 -0.876220
H 6.017010 -0.960013 0.903435
H 4.809349 -2.236930 1.137971


