%chk=000074480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074480

0 1
 O   -1.408800      -2.164400      -1.628700    
 N   -2.886900      0.1580000      0.2045000    
 N    1.219600     -0.5851000      0.8953000    
 N   -2.880900      -2.645300      7.2999999E-02
 C   -1.626300     -0.5826000      0.1608000    
 C  -0.5740000      0.2251000     -0.6090000    
 C   -1.141900     -0.8711000       1.587200    
 C   0.8211000     -0.4028000     -0.5065000    
 C   0.2750000      -1.456900       1.605900    
 C   -2.724100       1.405400      0.9644000    
 C   -3.373900      0.4247000      -1.156300    
 C   -4.045700       2.168800       1.061500    
 C   -4.717100       1.155900      -1.128300    
 C   -1.941700      -1.867700     -0.5622000    
 C   -4.629700       2.444900     -0.3194000    
 C    2.575700      -1.127900      0.9748000    
 C    3.583700     -0.2167000      0.3263000    
 C    3.876200     -0.3705000      -1.021800    
 C    4.206400      0.7640000       1.085500    
 C    4.810300      0.4734000      -1.622600    
 C    5.140400       1.608000      0.4847000    
 C    5.442400       1.462700     -0.8693000    
 H  -0.4588000       1.248500     -0.2416000    
 H  -0.7957000      0.3006000      -1.680300    
 H   -1.811800      -1.540000       2.139300    
 H   -1.047100      3.0099999E-02   2.198500    
 H   0.8695000      -1.348200      -1.059400    
 H    1.470300      0.3121000      -1.019500    
 H   0.5853000      -1.561900       2.653200    
 H   0.2677000      -2.465200       1.171700    
 H   -1.997800       2.099500      0.5339000    
 H   -2.456500       1.235900       2.008500    
 H   -3.540000     -0.4914000      -1.732600    
 H   -2.690500       1.057800      -1.732900    
 H   -3.892300       3.115400       1.592500    
 H   -4.765400       1.585900       1.650900    
 H   -5.482600      0.5014000     -0.6922000    
 H   -5.037900       1.384300      -2.151200    
 H   -3.995200       3.167000     -0.8477000    
 H   -5.622800       2.897500     -0.2242000    
 H    2.861300      -1.266600       2.026300    
 H    2.635100      -2.126400      0.5188000    
 H   -3.169700      -3.534300     -0.3216000    
 H   -3.359100      -2.351600      0.9182000    
 H    3.405000      -1.146500      -1.618400    
 H    3.977400      0.8874000       2.140300    
 H    5.048200      0.3580000      -2.676000    
 H    5.632400       2.378600       1.071100    
 H    6.170200       2.119300      -1.336900    


%chk=000074480-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074480

0 1
O -1.342629 -2.617392 -1.223081
N -2.900429 0.306332 0.237415
N 1.325034 -0.720577 0.588165
N -3.274500 -2.330761 0.041172
C -1.624754 -0.505156 0.098940
C -0.557500 0.165037 -0.821295
C -0.971231 -0.748162 1.495017
C 0.828207 -0.517684 -0.800522
C 0.359910 -1.516082 1.387282
C -2.858689 1.505592 1.120160
C -3.497263 0.658223 -1.088212
C -4.281012 2.069826 1.340723
C -4.941464 1.171478 -0.926078
C -2.057778 -1.908748 -0.450719
C -4.973819 2.404846 0.002182
C 2.687277 -1.303653 0.608019
C 3.766712 -0.327867 0.145392
C 4.879077 -0.786924 -0.601721
C 3.700580 1.043420 0.500098
C 5.912828 0.101222 -0.979485
C 4.728736 1.934133 0.121069
C 5.841599 1.466120 -0.617956
H -0.442289 1.214063 -0.482459
H -0.908242 0.180653 -1.868971
H -1.678152 -1.280728 2.158138
H -0.725771 0.227572 1.951239
H 0.759102 -1.486364 -1.343492
H 1.553730 0.126270 -1.330933
H 0.777817 -1.649684 2.403503
H 0.195099 -2.533221 0.955083
H -2.211506 2.310555 0.688889
H -2.435640 1.227053 2.098050
H -3.483047 -0.239415 -1.732505
H -2.895793 1.445571 -1.603643
H -4.214611 2.969153 1.983148
H -4.879939 1.314235 1.886607
H -5.568417 0.364533 -0.497283
H -5.354992 1.419335 -1.922605
H -4.442243 3.246235 -0.488895
H -6.014218 2.738610 0.175832
H 2.899247 -1.599677 1.656137
H 2.752505 -2.238464 -0.005243
H -3.636890 -3.246353 -0.220127
H -3.828799 -1.634347 0.551500
H 4.934891 -1.843767 -0.892769
H 2.826710 1.391864 1.062098
H 6.766564 -0.269317 -1.558641
H 4.665053 2.992312 0.401147
H 6.639938 2.157202 -0.911869


