%chk=000117774.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117774

0 1
 O    4.106000       2.769000      0.1315000    
 O   -6.449800     -0.8363000     -0.3002000    
 O   -6.135200       1.333000     -0.1826000    
 N    2.159500       1.477700     -0.1836000    
 N   0.3820000     -0.7045000     -0.5087000    
 N    5.858300      -1.610100      0.2394000    
 N  -0.2037000     -0.6796000      0.5992000    
 N   -5.696900      0.1574000     -0.1589000    
 C    2.628800      0.1616000     -0.1604000    
 C    1.758700     -0.9140000     -0.3196000    
 C    3.991800     -6.9799997E-02  2.5000000E-02
 C    4.480400      -1.376000      5.0700001E-02
 C    2.243000      -2.219700     -0.2943000    
 C    3.606000      -2.451000     -0.1089000    
 C   -1.573700     -0.4709000      0.4115000    
 C   -4.306300     -5.4800000E-02  3.4100000E-02
 C   -2.429700      -1.560700      0.2532000    
 C   -2.084000      0.8271000      0.3812000    
 C   -3.796000      -1.352600      6.4400002E-02
 C   -3.450300       1.035100      0.1925000    
 C    2.896400       2.659200     -4.0300000E-02
 C    2.014700       3.879800     -0.1251000    
 H    4.724000      0.7143000      0.1555000    
 H    1.569800      -3.063900     -0.4188000    
 H    3.974500      -3.473400     -9.0700001E-02
 H    1.155800       1.574800     -0.3227000    
 H   -2.041400      -2.575700      0.2759000    
 H   -1.424400       1.682500      0.5039000    
 H   -4.432900      -2.225300     -5.5500001E-02
 H   -3.812100       2.059900      0.1742000    
 H    6.212600      -2.557100      0.2561000    
 H    6.494400     -0.8322000      0.3534000    
 H    1.564900       3.940500      -1.120000    
 H    2.609300       4.780000      5.3100001E-02
 H    1.225300       3.822400      0.6298000    


%chk=000117774-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117774

0 1
O 4.320683 2.456763 -1.460667
O -6.225224 1.352375 -0.598778
O -6.768408 -0.416549 0.740438
N 2.345041 1.399767 -0.766869
N 0.514812 -0.254096 0.233892
N 5.951295 -1.599800 0.686248
N -0.405798 -1.047803 0.755183
N -5.905443 0.331199 0.130681
C 2.841343 0.233827 -0.154972
C 1.842109 -0.660768 0.393641
C 4.208748 -0.080495 -0.057521
C 4.608261 -1.285505 0.587161
C 2.270599 -1.861896 1.036306
C 3.622428 -2.177496 1.136037
C -1.746114 -0.620597 0.547139
C -4.474797 0.001927 0.275609
C -2.153476 0.494246 -0.248944
C -2.736544 -1.415271 1.194647
C -3.512663 0.806179 -0.385097
C -4.100324 -1.109743 1.066389
C 3.056033 2.434817 -1.375909
C 2.189530 3.552246 -1.947233
H 4.941891 0.610495 -0.479858
H 1.498975 -2.521617 1.443798
H 3.944459 -3.101932 1.629227
H 1.315928 1.441338 -0.730688
H -1.390098 1.092951 -0.752706
H -2.399895 -2.266851 1.793590
H -3.854306 1.651458 -0.988579
H -4.875441 -1.704235 1.556256
H 6.257448 -2.454918 1.143738
H 6.660435 -0.979243 0.302461
H 2.334013 3.596997 -3.040951
H 2.530697 4.516760 -1.534457
H 1.113602 3.432172 -1.734911


