%chk=000127759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127759

0 1
 O    1.707500      0.4542000     -7.5900003E-02
 O   -5.476900      -1.838900     -0.8994000    
 O   -4.859100       2.408500      0.8456000    
 N    6.541500       1.048100     -0.1850000    
 N   -4.653000      0.2057000     -1.6700000E-02
 C    3.080300      -1.319500      0.1951000    
 C    3.008600      5.3399999E-02 -1.7700000E-02
 C   0.9446000     -0.6565000      9.8700002E-02
 C  -0.4741000     -0.4383000      6.9600001E-02
 C    1.735500      -1.769100      0.2692000    
 C    5.371500      0.2645000     -5.8800001E-02
 C    4.120900      0.8826000     -0.1503000    
 C    4.348200      -1.920000      0.2844000    
 C   -3.237600     -1.1900000E-02  1.2100000E-02
 C    5.485900      -1.111600      0.1547000    
 C   -1.355800      -1.510200      0.2394000    
 C  -0.9842000      0.8484000     -0.1292000    
 C   -2.734000      -1.297500      0.2106000    
 C   -2.362600       1.061200     -0.1580000    
 C    7.759000      0.6748000      0.4962000    
 C    6.548400       2.241500     -0.9983000    
 C   -5.591100     -0.7139000     -0.4408000    
 C   -5.287600       1.367200      0.3756000    
 C   -6.907800     -7.6399997E-02 -0.2959000    
 C   -6.728200       1.153800      0.1748000    
 H    1.401700      -2.785200      0.4282000    
 H    3.994100       1.947600     -0.3042000    
 H    4.452200      -2.988500      0.4472000    
 H    6.456300      -1.598100      0.2137000    
 H  -0.9950000      -2.522700      0.4022000    
 H  -0.3356000       1.709300     -0.2717000    
 H   -3.385100      -2.150700      0.3741000    
 H   -2.719700       2.069700     -0.3421000    
 H    8.288500     -0.1094000     -5.5199999E-02
 H    7.558700      0.3224000       1.514500    
 H    8.441200       1.527500      0.5905000    
 H    7.569100       2.533900      -1.270200    
 H    6.098600       3.082000     -0.4593000    
 H    6.006500       2.090000      -1.938800    
 H   -7.843900     -0.5465000     -0.5467000    
 H   -7.489100       1.884700      0.3913000    


%chk=000127759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127759

0 1
O 1.747710 0.542680 -0.109765
O -5.460100 -1.957936 -0.903882
O -4.928960 2.440458 0.733438
N 6.664053 1.032933 -0.226758
N -4.753759 0.181179 -0.067123
C 3.117680 -1.275517 0.333475
C 3.083669 0.110196 -0.002784
C 0.931498 -0.606180 0.167548
C -0.509893 -0.403401 0.111410
C 1.740215 -1.704763 0.435917
C 5.488121 0.294279 -0.047625
C 4.207292 0.915848 -0.198139
C 4.391680 -1.881229 0.480548
C -3.329385 -0.013666 -0.006856
C 5.548450 -1.107750 0.292626
C -1.408917 -1.472856 0.387409
C -1.058965 0.866931 -0.222794
C -2.799396 -1.284323 0.336579
C -2.449737 1.061158 -0.288539
C 7.975117 0.392941 -0.067176
C 6.583796 2.458050 -0.565651
C -5.709879 -0.795446 -0.505591
C -5.446389 1.383770 0.300463
C -7.063738 -0.145939 -0.397410
C -6.910504 1.120379 0.069534
H 1.391495 -2.707596 0.675693
H 4.093575 1.970531 -0.453883
H 4.483108 -2.941692 0.738504
H 6.522431 -1.589497 0.409987
H -1.017591 -2.461294 0.650164
H -0.381659 1.698258 -0.436587
H -3.470473 -2.120078 0.546475
H -2.849913 2.045146 -0.542872
H 8.120642 -0.438100 -0.787360
H 8.116942 -0.012766 0.955558
H 8.767606 1.136244 -0.247294
H 7.599847 2.870578 -0.667009
H 6.056351 3.039073 0.219023
H 6.051991 2.623288 -1.525362
H -7.972677 -0.679640 -0.674852
H -7.662935 1.881850 0.274461


