%chk=000016559.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016559

0 1
 O   0.1059000      -1.890800      5.7500001E-02
 O   0.1456000       2.809600     -3.7900001E-02
 N   0.2054000      0.4614000      7.0000002E-03
 N   -1.838900       1.663000      9.4999997E-03
 C    1.648200      0.4838000     -1.0400000E-02
 C    2.215400     -0.1568000       1.259100    
 C    2.180200     -0.2070000      -1.268300    
 C    3.741300     -0.1928000       1.236900    
 C    3.706100     -0.2445000      -1.287000    
 C    4.269500     -0.8799000     -1.8999999E-02
 C   -1.908600     -0.7001000      5.6699999E-02
 C   -2.511300      0.4844000      4.0399998E-02
 C  -0.4421000     -0.7919000      4.0399998E-02
 C   -2.876300      -1.825500      9.3900003E-02
 C   -3.992000      0.3758000      6.2600002E-02
 C   -4.200300      -1.117600     -0.2321000    
 C  -0.4480000       1.728800     -9.4999997E-03
 H    2.010600       1.518600     -3.5900000E-02
 H    1.862700      -1.181700       1.407900    
 H    1.880600      0.4084000       2.138300    
 H    1.821700      0.3231000      -2.159900    
 H    1.823800      -1.236600      -1.367000    
 H    4.111800     -0.7141000       2.126800    
 H    4.130900      0.8317000       1.283100    
 H    4.094500      0.7767000      -1.386200    
 H    4.051600     -0.8024000      -2.164700    
 H    5.364000     -0.8280000     -3.5300002E-02
 H    3.999800      -1.943000      6.5000001E-03
 H   -2.652100      -2.599400     -0.6459000    
 H   -2.904300      -2.277900       1.090600    
 H   -4.386300      0.6441000       1.048300    
 H   -4.474000      0.9965000     -0.6987000    
 H   -4.435700      -1.252000      -1.296200    
 H   -5.038000      -1.534100      0.3369000    
 H   -2.374500       2.525700       0.000000    


%chk=000016559-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016559

0 1
O 0.074105 -1.974066 0.054903
O 0.208331 2.765917 -0.036083
N 0.183735 0.392906 -0.000936
N -1.839183 1.669816 0.004200
C 1.690532 0.380029 -0.014780
C 2.278263 -0.233999 1.280375
C 2.253347 -0.296090 -1.289683
C 3.823242 -0.128645 1.254019
C 3.798432 -0.189636 -1.297996
C 4.411482 -0.796333 -0.012637
C -1.986718 -0.727626 0.021693
C -2.588681 0.506955 0.015281
C -0.538721 -0.862983 0.028172
C -3.012521 -1.839710 0.077458
C -4.098567 0.423633 0.070738
C -4.355660 -1.092338 -0.230831
C -0.425495 1.671541 -0.012664
H 1.969330 1.449673 -0.042724
H 1.974527 -1.292479 1.358240
H 1.872787 0.302079 2.160036
H 1.830300 0.196381 -2.186335
H 1.949771 -1.357372 -1.310106
H 4.242193 -0.597264 2.165214
H 4.123324 0.939861 1.275338
H 4.097115 0.876572 -1.376308
H 4.200174 -0.701443 -2.193571
H 5.513057 -0.684594 -0.025994
H 4.195510 -1.883800 0.015384
H -2.800316 -2.642772 -0.649508
H -3.022960 -2.315186 1.077580
H -4.461276 0.709619 1.078688
H -4.597200 1.091224 -0.656702
H -4.606309 -1.212031 -1.299728
H -5.200272 -1.488935 0.356964
H -2.268481 2.596591 -0.009294


