%chk=000004983.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004983

0 1
 O  -0.3468000       2.386000      0.2136000    
 O  -0.2286000      -2.252100     -0.3718000    
 N  -0.7874000       1.080900      0.3226000    
 N  -0.6801000      -1.086500     -0.1349000    
 C   -2.187300      0.7951000     -7.9999998E-04
 C   -2.163900     -0.8018000      1.2300000E-02
 C   4.6799999E-02 -7.2800003E-02  6.0899999E-02
 C   -2.517700       1.382300      -1.384700    
 C   -3.105800       1.421100       1.050700    
 C   -2.557000      -1.437500       1.352900    
 C   -2.887000      -1.487600      -1.145900    
 C    1.498900     -2.9800000E-02  3.2000002E-02
 C    2.238200     -0.2546000       1.200100    
 C    2.176600      0.2374000      -1.164300    
 C    3.632300     -0.2129000       1.172600    
 C    3.570600      0.2789000      -1.192000    
 C    4.298300      5.3900000E-02 -2.3499999E-02
 H   -1.824000       1.023300      -2.153200    
 H   -3.538700       1.131800      -1.691300    
 H   -2.442300       2.476200      -1.380300    
 H   -4.144200       1.106400      0.9015000    
 H   -2.806200       1.157800       2.070500    
 H   -3.079000       2.515900      0.9957000    
 H   -3.617100      -1.272000       1.571600    
 H   -2.391900      -2.521500       1.344000    
 H   -1.965300      -1.036100       2.183200    
 H   -2.821200      -2.579300      -1.068000    
 H   -3.950300      -1.225700      -1.148500    
 H   -2.459900      -1.220500      -2.118200    
 H   0.2544000       2.457500      0.9743000    
 H    1.729100     -0.4632000       2.137800    
 H    1.619100      0.4148000      -2.080700    
 H    4.198900     -0.3881000       2.082300    
 H    4.089400      0.4868000      -2.123200    
 H    5.383700      8.6300001E-02 -4.5100000E-02


%chk=000004983-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004983

0 1
O -0.318638 2.231307 -0.871451
O -0.352222 -2.400245 0.128368
N -0.760832 1.154596 0.091206
N -0.720162 -1.125278 0.039602
C -2.200124 0.725313 -0.254026
C -2.185919 -0.736373 0.326779
C 0.061291 -0.016829 -0.014523
C -2.414291 0.730604 -1.788276
C -3.195161 1.678274 0.426230
C -2.346611 -0.793121 1.866228
C -3.127872 -1.743927 -0.343041
C 1.521204 -0.010328 0.004642
C 2.261186 -1.187034 -0.324077
C 2.238905 1.163817 0.382825
C 3.670794 -1.170000 -0.295490
C 3.645960 1.164830 0.420847
C 4.372447 0.000454 0.074041
H -1.718960 0.045676 -2.303716
H -3.448389 0.426208 -2.023931
H -2.245781 1.744736 -2.181806
H -4.230753 1.314150 0.298887
H -2.987708 1.783833 1.503111
H -3.132318 2.678042 -0.039887
H -3.391811 -0.588098 2.155311
H -2.080426 -1.807428 2.211274
H -1.689449 -0.065099 2.372299
H -2.942050 -2.742409 0.086570
H -4.180311 -1.465945 -0.153891
H -2.966419 -1.812224 -1.430206
H -0.181744 3.004974 -0.263266
H 1.716988 -2.098661 -0.580936
H 1.693171 2.066827 0.668180
H 4.223559 -2.079774 -0.555235
H 4.179172 2.073830 0.721294
H 5.467873 0.005698 0.098264


