%chk=000131667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131667

0 1
 O   -2.902000       1.564900     -1.8000000E-03
 N  -0.1740000      0.9440000     -1.1000000E-03
 N  -0.7139000      -1.216800     -6.9999998E-04
 N    1.552200      -2.087500     -1.9999999E-04
 N   -2.543000      0.3169000       0.000000    
 N   -3.402000     -0.6538000      1.0000000E-03
 C    1.015400      0.2677000     -6.9999998E-04
 C   0.6508000      -1.073900     -5.0000002E-04
 C    2.346800      0.6690000     -6.0000003E-04
 C    3.284000     -0.3607000     -1.9999999E-04
 C   -1.178500      1.3600000E-02 -8.9999998E-04
 C    4.697900     -5.9799999E-02  9.9999997E-05
 C  -0.3394000       2.379400     -1.3000000E-03
 C    2.843400      -1.679900      9.9999997E-05
 C    5.381800      8.5800000E-02  -1.207600    
 C    5.381000      8.5800000E-02   1.208300    
 C    6.746100      0.3763000      -1.207200    
 C    6.745300      0.3764000       1.208800    
 C    7.427800      0.5216000      8.9999998E-04
 C   -4.778700     -0.3640000      7.9999998E-04
 C   -5.452800     -0.2233000      -1.207300    
 C   -5.452600     -0.2209000       1.208600    
 C   -6.817800      6.4000003E-02  -1.207400    
 C   -6.817500      6.6299997E-02   1.208500    
 C   -7.500200      0.2088000      3.9999999E-04
 H    2.635000       1.713900     -6.9999998E-04
 H   0.6384000       2.866400     -1.2000001E-03
 H  -0.8712000       2.676100     -0.9087000    
 H  -0.8715000       2.676300      0.9058000    
 H    3.557000      -2.501600      5.0000002E-04
 H    4.865800     -2.4200000E-02  -2.158700    
 H    4.864400     -2.4000000E-02   2.159000    
 H    7.277600      0.4894000      -2.147600    
 H    7.276200      0.4896000       2.149400    
 H    8.490000      0.7478000      1.3000000E-03
 H   -4.928300     -0.3347000      -2.152400    
 H   -4.927900     -0.3305000       2.153800    
 H   -7.349400      0.1751000      -2.148100    
 H   -7.348800      0.1791000       2.149000    
 H   -8.563000      0.4326000      3.9999999E-04


%chk=000131667-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131667

0 1
O -2.917423 1.627519 -0.001765
N -0.211837 0.989771 0.000481
N -0.742869 -1.264342 0.001395
N 1.568202 -2.120785 0.001291
N -2.619545 0.337395 0.001245
N -3.458044 -0.677691 0.002578
C 0.999206 0.286118 0.000527
C 0.650431 -1.112729 0.001104
C 2.351508 0.685661 0.000140
C 3.310192 -0.351654 0.000346
C -1.206313 -0.009856 0.001137
C 4.779115 -0.051201 -0.000011
C -0.319843 2.463197 -0.000038
C 2.863996 -1.720033 0.000914
C 5.485995 0.087502 -1.223160
C 5.486798 0.086327 1.222807
C 6.872536 0.362319 -1.222932
C 6.873336 0.361151 1.221933
C 7.569944 0.500764 -0.000661
C -4.859203 -0.318365 0.001137
C -5.552800 -0.207402 -1.228446
C -5.554437 -0.203893 1.229467
C -6.944311 0.031537 -1.223250
C -6.945944 0.035009 1.221727
C -7.645476 0.156005 -0.001403
H 2.668807 1.733196 -0.000287
H 0.701138 2.877873 -0.000027
H -0.862842 2.814157 -0.889841
H -0.863041 2.814770 0.889412
H 3.612871 -2.520101 0.001054
H 4.948362 -0.023684 -2.171660
H 4.949781 -0.025743 2.171551
H 7.406091 0.466010 -2.174294
H 7.407511 0.463952 2.173043
H 8.644864 0.712635 -0.000913
H -5.006099 -0.319028 -2.170478
H -5.008993 -0.312817 2.172544
H -7.479441 0.116635 -2.175435
H -7.482345 0.122819 2.172951
H -8.725475 0.338203 -0.002383


