%chk=000005163.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005163

0 1
 O   -1.292500      -1.268900      6.0000003E-04
 N  -0.2321000      0.7970000      3.0000000E-03
 N    5.152000     -0.4251000     -1.9000000E-03
 N   -2.571100      0.6705000      4.9000001E-03
 N   -5.342500      -1.774600     -5.9000002E-03
 C    1.971300       1.466300     -1.3000000E-03
 C    1.214100       2.754900     -4.8000002E-03
 C    1.115600      0.3646000      1.8000000E-03
 C  -0.2394000       2.277600      4.8000002E-03
 C    3.851200      2.7600000E-02 -1.0000000E-03
 C    3.356500       1.336500     -3.1999999E-03
 C    3.023700      -1.101100      2.3000001E-03
 C    1.619000     -0.9346000      3.5999999E-03
 C    3.877400      -2.241200      3.5999999E-03
 C   -1.363700     -3.9999999E-02  2.0000001E-03
 C    5.177900      -1.793400      1.1000000E-03
 C    6.332500      0.4120000     -6.3999998E-03
 C   -3.889800      0.1502000      2.0999999E-03
 C   -4.987200      0.9980000      2.7999999E-03
 C   -4.112500      -1.213600     -2.2000000E-03
 C   -6.268800      0.4586000     -7.9999998E-04
 C   -6.391500     -0.9215000     -5.1000002E-03
 H    1.431000       3.340000     -0.9038000    
 H    1.439400       3.351500      0.8846000    
 H  -0.7810000       2.633100     -0.8792000    
 H  -0.7683000       2.629200      0.8981000    
 H    4.010400       2.200800     -6.0999999E-03
 H   0.9861000      -1.812500      6.5000001E-03
 H    3.572400      -3.278700      6.0999999E-03
 H    6.111800      -2.339200      1.0000000E-03
 H    6.317200       1.034700      0.8917000    
 H    7.227800     -0.2149000     -6.6000000E-03
 H    6.313600       1.029900     -0.9078000    
 H   -2.527100       1.684400      8.3999997E-03
 H   -4.860900       2.077200      5.9000002E-03
 H   -3.339800      -1.967400     -3.1999999E-03
 H   -7.144000       1.098200     -3.9999999E-04
 H   -7.369100      -1.392100     -8.1000002E-03


%chk=000005163-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005163

0 1
O -1.269201 -1.300523 -0.005430
N -0.233399 0.805531 -0.002627
N 5.220379 -0.427858 0.000410
N -2.581717 0.658182 0.001284
N -5.435457 -1.795934 -0.003125
C 1.997415 1.496361 -0.003400
C 1.184064 2.782463 -0.006859
C 1.130545 0.357525 -0.002348
C -0.298937 2.297672 0.000596
C 3.895271 0.030050 -0.000836
C 3.390596 1.353376 -0.002635
C 3.029055 -1.124722 -0.000097
C 1.616487 -0.962032 -0.000975
C 3.886237 -2.290307 0.001660
C -1.349857 -0.035322 -0.002499
C 5.203265 -1.833034 0.001925
C 6.408277 0.425136 -0.000240
C -3.882428 0.098077 0.001069
C -4.986749 0.995351 0.005131
C -4.163625 -1.302316 -0.003006
C -6.297931 0.483229 0.005043
C -6.480829 -0.918996 0.000848
H 1.395610 3.397463 -0.900592
H 1.401642 3.407337 0.878442
H -0.838916 2.661381 -0.895836
H -0.828395 2.657670 0.904908
H 4.049711 2.228495 -0.003483
H 0.929611 -1.808807 -0.000676
H 3.571043 -3.332001 0.002647
H 6.135884 -2.395798 0.003065
H 6.435238 1.072096 0.896877
H 7.311433 -0.205725 0.001134
H 6.436156 1.069506 -0.899195
H -2.553311 1.679181 0.005073
H -4.817575 2.080307 0.008277
H -3.345631 -2.023663 -0.006196
H -7.161398 1.156351 0.008147
H -7.482962 -1.361700 0.000620


