%chk=000128018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128018

0 1
 O   -5.834200       2.169400     -0.6977000    
 O   0.1518000       2.500700       1.242400    
 N   -6.466200      -3.161500      0.6780000    
 N   0.3454000      0.7652000     -0.3248000    
 N    8.505200      -1.283900      0.1547000    
 C   -5.158100      -1.180800      6.6900000E-02
 C   -4.582400     -0.3679000      -1.095500    
 C   -5.943200      -2.388600     -0.4422000    
 C   -3.836000      0.8483000     -0.6098000    
 C   -2.478700      0.7364000     -0.3415000    
 C   -4.502000       2.053400     -0.4363000    
 C   -1.773500       1.852300      0.1094000    
 C   -7.338300      -2.333700       1.513100    
 C   -7.191700      -4.338900      0.1978000    
 C   -3.796700       3.169200      1.4800000E-02
 C   -2.432400       3.068600      0.2875000    
 C  -0.3506000       1.748900      0.3915000    
 C    1.717000      0.4206000     -0.2446000    
 C    4.397900     -0.2519000     -8.8000000E-02
 C    2.535800       1.105700      0.6368000    
 C    2.207900     -0.5931000      -1.049500    
 C    3.886500      0.7669000      0.7156000    
 C    3.558700     -0.9320000     -0.9706000    
 C    5.799000     -0.6043000     -5.2000000E-03
 C    6.489000     -0.4439000       1.191100    
 C    6.459700      -1.103900      -1.121600    
 C    7.828900     -0.7954000       1.218500    
 C    7.801100      -1.425800     -0.9906000    
 H   -5.794300     -0.5070000      0.6504000    
 H   -4.347200      -1.511100      0.7292000    
 H   -5.360800     -9.4899997E-02  -1.817900    
 H   -3.892400      -1.002100      -1.669400    
 H   -5.269900      -3.016900      -1.038900    
 H   -6.750800      -2.055100      -1.107300    
 H   -2.007100     -0.2358000     -0.4516000    
 H   -6.770100      -1.615100       2.111600    
 H   -7.862100      -2.955600       2.249800    
 H   -8.099300      -1.802700      0.9297000    
 H   -6.535400      -4.975600     -0.4060000    
 H   -8.063900      -4.068500     -0.4085000    
 H   -7.532400      -4.952100       1.039600    
 H   -4.304000       4.120000      0.1544000    
 H   -1.900700       3.951600      0.6325000    
 H  -0.1613000      0.2362000      -1.029300    
 H   -6.260700       1.299100     -0.7199000    
 H    2.217900       1.908400       1.284900    
 H    1.561100      -1.133200      -1.735300    
 H    4.509200       1.342600       1.395300    
 H    3.906200      -1.751300      -1.593900    
 H    6.028200     -8.7300003E-02   2.105700    
 H    5.989700      -1.226900      -2.091200    
 H    8.411000     -0.6963000       2.128900    
 H    8.364600      -1.812700      -1.833400    


%chk=000128018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128018

0 1
O -5.906358 2.164153 -0.539023
O 0.280804 2.694841 1.144075
N -6.874797 -3.119582 0.693688
N 0.470232 0.845946 -0.290653
N 8.839665 -1.320382 0.068245
C -5.413500 -1.147574 0.105901
C -4.631376 -0.460311 -1.050828
C -6.233129 -2.353408 -0.397933
C -3.857843 0.768910 -0.598218
C -2.464389 0.720311 -0.370891
C -4.526191 2.002035 -0.341114
C -1.737996 1.844147 0.103729
C -7.952640 -2.375446 1.376958
C -7.333651 -4.449997 0.241229
C -3.826378 3.129881 0.144835
C -2.444044 3.046493 0.371980
C -0.260538 1.839820 0.376039
C 1.853091 0.544963 -0.190984
C 4.620008 -0.195406 -0.092581
C 2.751211 1.244840 0.660994
C 2.351487 -0.520607 -0.991530
C 4.106016 0.866515 0.700485
C 3.708220 -0.879490 -0.943433
C 6.055943 -0.577726 -0.038019
C 6.833373 -0.405698 1.141358
C 6.727139 -1.135151 -1.162281
C 8.193126 -0.781388 1.146617
C 8.089941 -1.485980 -1.063730
H -6.071099 -0.410890 0.606963
H -4.700949 -1.500999 0.873432
H -5.337340 -0.207557 -1.873903
H -3.928884 -1.194979 -1.487289
H -5.549026 -3.044217 -0.929667
H -6.986210 -2.001071 -1.157101
H -1.965510 -0.245737 -0.528222
H -7.559055 -1.452207 1.834374
H -8.367736 -2.997073 2.189661
H -8.794236 -2.095660 0.691248
H -6.483515 -5.013870 -0.182499
H -8.141069 -4.404885 -0.534262
H -7.723647 -5.019856 1.103345
H -4.383050 4.051881 0.335046
H -1.883223 3.901123 0.762568
H -0.047499 0.283676 -0.969115
H -6.314200 1.340272 -0.905045
H 2.377263 2.075091 1.261770
H 1.668220 -1.076953 -1.646603
H 4.785779 1.437912 1.342231
H 4.056170 -1.723403 -1.548978
H 6.381760 -0.009898 2.056823
H 6.206028 -1.268404 -2.116049
H 8.800740 -0.657012 2.050350
H 8.618262 -1.912293 -1.924390


