%chk=000049852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049852

0 1
 O   -5.628300       3.091800      6.9999998E-04
 O    5.628400       3.091700      1.9000000E-03
 O   -3.600400      -3.552100       1.099500    
 O    3.602900      -3.553100      -1.097200    
 O   -3.602600      -3.553800      -1.095800    
 O    3.600200      -3.552700       1.098100    
 N   -3.383800      -2.987800      1.2000001E-03
 N    3.383900      -2.987700       0.000000    
 C   -1.436700      0.7487000     -3.0000001E-04
 C    1.436700      0.7487000     -1.9999999E-04
 C  -0.7178000     -0.4704000     -5.0000002E-04
 C   0.7179000     -0.4703000     -6.0000003E-04
 C  -0.7179000       1.975100     -9.9999997E-05
 C   0.7179000       1.975100       0.000000    
 C   -2.879200      0.7406000     -3.0000001E-04
 C    2.879100      0.7407000     -1.9999999E-04
 C   -3.607100     -0.4736000     -3.0000001E-04
 C    3.607100     -0.4736000     -5.0000002E-04
 C   -3.559000       1.968200     -1.9999999E-04
 C    3.559100       1.968300      1.9999999E-04
 C   -1.479100      -1.656200     -6.0000003E-04
 C    1.479000      -1.656200     -1.0000000E-03
 C   -2.872900      -1.660200     -3.0000001E-04
 C    2.872900      -1.660300     -8.9999998E-04
 C   -1.477800       3.166900     -9.9999997E-05
 C    1.477700       3.166900      5.0000002E-04
 C   -5.093800     -0.4678000     -1.9999999E-04
 C    5.093800     -0.4678000     -3.9999999E-04
 C   -2.866700       3.171400     -1.9999999E-04
 C    2.866700       3.171400      5.0000002E-04
 C   -5.793800      0.7508000     -1.9999999E-04
 C    5.793800      0.7508000       0.000000    
 C   -5.038300       2.018300     -3.0000001E-04
 C    5.038300       2.018300      1.9999999E-04
 C   -5.875900      -1.640400     -3.0000001E-04
 C    5.875800      -1.640500     -6.0000003E-04
 C   -7.196900      0.8020000     -3.9999999E-04
 C    7.196800      0.8020000      9.9999997E-05
 C   -7.275000      -1.596200     -3.9999999E-04
 C    7.274900      -1.596200     -3.9999999E-04
 C   -7.935200     -0.3753000     -3.0000001E-04
 C    7.935100     -0.3753000     -1.9999999E-04
 H  -0.9826000      -2.624200     -5.0000002E-04
 H   0.9825000      -2.624300     -1.2000001E-03
 H   -1.006700       4.145900       0.000000    
 H    1.006700       4.145900      8.9999998E-04
 H   -3.382400       4.127900     -1.9999999E-04
 H    3.382400       4.127900      8.9999998E-04
 H   -5.527100      -2.653100       0.000000    
 H    5.527000      -2.653200     -5.0000002E-04
 H   -7.728300       1.749900     -5.0000002E-04
 H    7.728300       1.749900      3.0000001E-04
 H   -7.847000      -2.520200     -3.0000001E-04
 H    7.847000      -2.520200     -3.9999999E-04
 H   -9.020300     -0.3402000     -3.9999999E-04
 H    9.020200     -0.3403000     -9.9999997E-05


%chk=000049852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049852

0 1
O -5.678738 3.190323 0.000087
O 5.678773 3.190423 -0.001072
O -3.640493 -3.644092 1.144339
O 3.638139 -3.644995 -1.143220
O -3.639008 -3.645565 -1.141088
O 3.637523 -3.646099 1.142167
N -3.444555 -3.083947 0.001396
N 3.444658 -3.083926 -0.000311
C -1.466473 0.722333 0.000528
C 1.466576 0.722344 0.000454
C -0.734784 -0.518211 0.000646
C 0.734896 -0.518202 0.000531
C -0.738257 1.969395 0.000380
C 0.738345 1.969400 0.000363
C -2.918180 0.709806 0.000526
C 2.918289 0.709826 0.000430
C -3.678514 -0.532389 0.000500
C 3.678655 -0.532360 0.000347
C -3.603071 1.971765 0.000521
C 3.603151 1.971802 0.000309
C -1.475250 -1.711192 0.000901
C 1.475378 -1.711168 0.000368
C -2.882564 -1.701992 0.000879
C 2.882690 -1.701966 0.000199
C -1.472033 3.179036 0.000285
C 1.472101 3.179049 0.000229
C -5.164842 -0.490531 -0.000111
C 5.165001 -0.490452 0.000098
C -2.875178 3.175836 0.000386
C 2.875243 3.175863 0.000182
C -5.834812 0.779767 0.000059
C 5.834922 0.779878 -0.000134
C -5.084811 2.059264 0.000970
C 5.084883 2.059345 0.000584
C -5.998614 -1.650378 -0.001188
C 5.998857 -1.650248 -0.000126
C -7.249776 0.866249 -0.000580
C 7.249880 0.866439 -0.000706
C -7.402652 -1.553096 -0.001828
C 7.402889 -1.552887 -0.000662
C -8.042582 -0.291075 -0.001468
C 8.042753 -0.290835 -0.000987
H -0.980425 -2.684670 0.001120
H 0.980558 -2.684649 0.000251
H -0.958548 4.142356 0.000188
H 0.958604 4.142363 0.000179
H -3.446343 4.109341 0.000443
H 3.446399 4.109375 0.000136
H -5.591781 -2.657577 -0.001732
H 5.592116 -2.657477 0.000126
H -7.690399 1.867941 -0.000339
H 7.690447 1.868156 -0.000818
H -7.998324 -2.471981 -0.002655
H 7.998610 -2.471740 -0.000831
H -9.134875 -0.221187 -0.001945
H 9.135042 -0.220887 -0.001403


