%chk=000146979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146979

0 1
 O   -1.993300     -0.6173000       1.170800    
 O   -2.919600      0.9820000      -1.902300    
 O   -4.559900     -0.5758000     -0.3788000    
 O   -1.100100      -3.253300       1.432000    
 O   -1.238800       3.246300     -8.3800003E-02
 O    3.250800       2.362800      0.3776000    
 N  -0.5918000       1.034700      0.2926000    
 N   0.9973000       2.791500      0.1475000    
 C   -2.324300     -1.4600000E-02  -1.096900    
 C   -1.924900      0.5033000      0.2741000    
 C   -3.293200      -1.123100     -0.7440000    
 C   -2.659100      -1.714500      0.5077000    
 C   -1.621100      -2.787400      0.2073000    
 C   0.4693000      0.1607000      0.5001000    
 C  -0.3494000       2.413700      0.1050000    
 C    1.756800      0.5255000      0.5402000    
 C    2.881600     -0.4332000      0.7651000    
 C    2.090000       1.962500      0.3512000    
 C    3.410500      -1.004600     -0.5493000    
 C    4.581400      -1.957200     -0.3051000    
 C    5.138000      -2.502000      -1.611000    
 H   -1.467200     -0.4315000      -1.639300    
 H   -2.620900       1.272200      0.6304000    
 H   -3.460400      -1.839000      -1.552900    
 H   -3.405800      -2.101800       1.210500    
 H  -0.7979000      -2.423100     -0.4119000    
 H   -2.090900      -3.630200     -0.3104000    
 H   0.2374000     -0.8839000      0.6397000    
 H   -2.268100       1.695100      -2.013400    
 H   -4.448900     -1.7200001E-02  0.4085000    
 H    3.691100      5.0799999E-02   1.325000    
 H    2.538900      -1.258500       1.403500    
 H    1.194300       3.779600      1.5000000E-02
 H    2.609100      -1.537700      -1.076500    
 H    3.737300     -0.1883000      -1.205800    
 H  -0.4480000      -3.944000       1.224400    
 H    5.380600      -1.435400      0.2340000    
 H    4.256100      -2.793000      0.3252000    
 H    5.972900      -3.181600      -1.413000    
 H    5.503700      -1.691900      -2.250200    
 H    4.372100      -3.056400      -2.162800    


%chk=000146979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146979

0 1
O -1.967146 -0.805526 1.250822
O -3.677259 1.435815 -0.976983
O -4.857123 -0.567797 0.294022
O -0.882808 -3.322583 0.608710
O -1.341405 2.840531 -0.673149
O 3.286902 2.233943 -0.377851
N -0.526215 0.851608 0.270208
N 0.970354 2.490719 -0.496426
C -2.800857 0.307935 -0.742269
C -1.953072 0.462137 0.561898
C -3.666813 -0.947435 -0.449194
C -2.753854 -1.798579 0.453751
C -1.828257 -2.728565 -0.342373
C 0.555530 0.045246 0.639351
C -0.355320 2.109359 -0.320547
C 1.865825 0.424783 0.443153
C 3.038372 -0.454369 0.818620
C 2.144301 1.739014 -0.155250
C 3.745674 -1.086262 -0.412616
C 4.983258 -1.921174 -0.013502
C 5.683787 -2.562957 -1.230445
H -2.128973 0.127149 -1.605935
H -2.386925 1.245103 1.212055
H -3.944628 -1.473841 -1.385421
H -3.335841 -2.372043 1.191846
H -1.286415 -2.166461 -1.134690
H -2.458457 -3.504167 -0.828209
H 0.268916 -0.907964 1.094771
H -3.085256 2.247549 -0.963813
H -5.078036 0.363250 0.008803
H 3.782491 0.157534 1.364931
H 2.699792 -1.256018 1.502564
H 1.124678 3.411093 -0.921447
H 3.025054 -1.726944 -0.961172
H 4.054295 -0.278351 -1.102896
H -0.398515 -4.067004 0.171662
H 5.699937 -1.268531 0.524569
H 4.680874 -2.712007 0.703551
H 6.572528 -3.145280 -0.925384
H 6.016148 -1.788349 -1.946671
H 5.000057 -3.246363 -1.769043


