%chk=000027631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027631

0 1
 O    4.945900      0.2445000      -2.438700    
 O   -6.393500     -0.3960000     -0.6458000    
 O   -5.351200      -2.302400     -0.3038000    
 N  -0.5992000       1.742400      0.6917000    
 N    3.056300     -0.7473000      0.9111000    
 N    1.073300      0.2075000     -1.1000000E-03
 N    2.984400      0.2374000      -1.230500    
 N   -5.361500      -1.049600     -0.3615000    
 N    1.571200       2.345900      0.9602000    
 C   -1.795200       1.041200      0.4270000    
 C    4.387600      -1.065700      0.8047000    
 C   -2.957200       1.742400      0.1082000    
 C   -1.812900     -0.3519000      0.4849000    
 C   -4.158200     -0.3442000     -9.5600002E-02
 C    2.403600     -0.1061000     -0.1143000    
 C   -4.139300       1.049400     -0.1531000    
 C   -2.994900      -1.044900      0.2235000    
 C   0.7217000       1.355000      0.5025000    
 C    5.058200     -0.7463000     -0.3126000    
 C    5.032200      -1.764700       1.960400    
 C    4.328600     -4.6900000E-02  -1.417300    
 H   -2.955300       2.828300      5.9099998E-02
 H  -0.9417000     -0.9328000      0.7685000    
 H  -0.7542000       2.718400      0.9314000    
 H    2.573800      -1.000400       1.766100    
 H   -5.025800       1.628700     -0.3983000    
 H   -2.974500      -2.130000      0.2863000    
 H    6.108400     -0.9710000     -0.4555000    
 H    6.091400      -1.973000       1.775500    
 H    4.532900      -2.719700       2.154900    
 H    4.965400      -1.149200       2.863700    
 H    1.212700       3.209200       1.353600    
 H    2.579400       2.243600      0.9191000    


%chk=000027631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027631

0 1
O 5.781493 1.806482 -0.046636
O -6.419124 -0.681765 0.515382
O -5.112585 -2.500387 0.964362
N -0.644614 1.983024 -0.139580
N 2.902838 -1.001926 0.656176
N 1.200472 0.526440 0.246507
N 3.510707 1.235522 0.080883
N -5.265765 -1.252600 0.656766
N 1.548223 2.815233 -0.340576
C -1.744903 1.125142 0.072074
C 4.237763 -1.406403 0.769112
C -3.042739 1.703087 -0.071517
C -1.626738 -0.252622 0.412110
C -4.057866 -0.433943 0.455549
C 2.566182 0.308820 0.313642
C -4.196980 0.932299 0.118181
C -2.783277 -1.025697 0.602127
C 0.735819 1.750589 -0.071535
C 5.225948 -0.474676 0.534934
C 4.472527 -2.848830 1.142578
C 4.905090 0.919297 0.173995
H -3.141607 2.764045 -0.333615
H -0.627583 -0.674347 0.517684
H -0.900581 2.942254 -0.384483
H 2.129677 -1.649762 0.818639
H -5.196847 1.360377 0.011911
H -2.717587 -2.085264 0.863503
H 6.280058 -0.748896 0.612121
H 5.551270 -3.056996 1.204940
H 4.034435 -3.534578 0.392624
H 4.020325 -3.088889 2.123618
H 1.199033 3.742556 -0.580367
H 2.589336 2.554215 -0.266808


