%chk=000094800.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094800

0 1
 O   -4.731600      -1.768100     -0.1867000    
 O    1.573800       1.234200      0.3714000    
 N   -3.052900      0.4985000      0.1954000    
 C   -2.494500     -0.8416000     -3.2600001E-02
 C   -4.364900      0.6148000     -0.4561000    
 C   -3.470200      -1.901900      0.4696000    
 C   -5.296500     -0.4794000      5.7200000E-02
 C   -2.139300       1.530800     -0.2897000    
 C    4.827700     -0.4900000     -0.3629000    
 C    3.816500      0.4005000      0.3556000    
 C  -0.8138000       1.466100      0.4054000    
 C    6.165200     -0.5211000      0.3762000    
 C    2.468400      0.4037000     -0.3511000    
 C   0.3481000       1.286800     -0.2340000    
 C    7.164100      -1.433400     -0.3178000    
 H   -2.305900     -0.9992000      -1.102800    
 H   -1.551900     -0.9881000      0.5052000    
 H   -4.811800       1.591900     -0.2403000    
 H   -4.259400      0.5216000      -1.544900    
 H   -3.083500      -2.901000      0.2448000    
 H   -3.613900      -1.838500       1.555300    
 H   -5.501900     -0.3664000       1.128800    
 H   -6.254400     -0.4310000     -0.4703000    
 H   -2.012200       1.462700      -1.378500    
 H   -2.566000       2.520300     -8.2500003E-02
 H    4.429100      -1.509000     -0.4401000    
 H    4.980000     -0.1246000      -1.385800    
 H    3.680800      6.2100001E-02   1.390500    
 H    4.195600       1.427900      0.4235000    
 H  -0.8063000       1.581000       1.486700    
 H    6.015200     -0.8709000       1.404300    
 H    6.581300      0.4914000      0.4352000    
 H    2.070400     -0.6182000     -0.3997000    
 H    2.599200      0.7834000      -1.372900    
 H   0.3905000       1.181900      -1.310800    
 H    6.791300      -2.461700     -0.3623000    
 H    7.360600      -1.094200      -1.339800    
 H    8.113500      -1.439500      0.2267000    


%chk=000094800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094800

0 1
O -5.339396 -1.510357 0.070849
O 1.566727 0.707411 0.271262
N -3.183872 0.436673 0.107455
C -2.916456 -1.000446 -0.147964
C -4.540945 0.801551 -0.369563
C -3.986697 -1.861119 0.540597
C -5.591970 -0.081767 0.323908
C -2.128012 1.330577 -0.442517
C 5.165090 -0.410124 -0.380475
C 3.929481 0.169010 0.345670
C -0.802050 1.154085 0.259748
C 6.426709 -0.428141 0.513060
C 2.683729 0.179410 -0.541682
C 0.338557 0.816106 -0.393646
C 7.659748 -1.022158 -0.200562
H -2.917168 -1.224794 -1.246581
H -1.917238 -1.253758 0.250855
H -4.735242 1.864221 -0.126726
H -4.637992 0.677994 -1.479138
H -3.859446 -2.928867 0.296302
H -3.924964 -1.717769 1.640978
H -5.572474 0.112928 1.418162
H -6.602715 0.113781 -0.071487
H -1.992531 1.183750 -1.546844
H -2.489654 2.369808 -0.301849
H 4.947571 -1.444346 -0.721006
H 5.376568 0.182213 -1.295533
H 3.710782 -0.426857 1.252694
H 4.136204 1.202640 0.683693
H -0.780594 1.316868 1.343760
H 6.211913 -1.011112 1.431586
H 6.651110 0.605373 0.846263
H 2.436094 -0.846793 -0.886949
H 2.833464 0.827478 -1.431728
H 0.353757 0.627764 -1.480104
H 7.472438 -2.066845 -0.513414
H 7.912881 -0.441113 -1.107609
H 8.546994 -1.021476 0.458730


