%chk=000102640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102640

0 1
 O   -6.146500     -0.5120000      0.3542000    
 O   3.5900000E-02   2.588600       1.565900    
 N   -3.336100     -0.5657000     -9.3099996E-02
 N   0.4091000      0.4577000       2.261400    
 C   0.2854000      0.8785000     -0.1945000    
 C   0.8199000       1.997600      -1.192500    
 C   -1.230200      0.6152000     -0.5510000    
 C   -1.950900     -0.4070000      0.3452000    
 C    1.178700     -0.3862000     -0.3123000    
 C   0.2569000       1.411300       1.277300    
 C   5.6699999E-02   3.331200      -1.130700    
 C   0.8942000       1.555900      -2.664700    
 C    2.513000     -0.3209000      1.6899999E-02
 C   -4.070500      0.7012000      2.9500000E-02
 C   -4.011300      -1.616100      0.6814000    
 C   0.5388000      -1.514600     -0.7549000    
 C   -5.515600      0.5080000     -0.4211000    
 C   -5.457400      -1.754900      0.2143000    
 C    3.272800      -1.507800     -0.1128000    
 C    1.285900      -2.681800     -0.8825000    
 C    3.141400      0.8510000      0.4684000    
 C    2.644200      -2.679900     -0.5640000    
 C    4.638900      -1.487700      0.2127000    
 C    4.499700      0.8528000      0.7873000    
 C    5.247000     -0.3143000      0.6596000    
 H   -1.350200      0.3357000      -1.604300    
 H   -1.734300       1.573700     -0.4233000    
 H    1.841900       2.291300     -0.9624000    
 H   -1.965300     -3.0300001E-02   1.375800    
 H   -1.492900      -1.390200      0.4236000    
 H   -1.011700       3.232100      -1.333000    
 H   0.2024000       3.879200     -0.2002000    
 H   0.4413000       4.006000      -1.907200    
 H  -9.8600000E-02   1.377600      -3.088100    
 H    1.491900      0.6488000      -2.791100    
 H    1.369400       2.333000      -3.274800    
 H   -3.669700       1.485500     -0.6167000    
 H   -4.055000       1.059600       1.066800    
 H   -3.995600      -1.370300       1.751300    
 H   -3.503300      -2.577800      0.5457000    
 H  -0.4506000      -1.572800      -1.181800    
 H   -6.080200       1.434200     -0.2726000    
 H   -5.577500      0.2492000      -1.485300    
 H   -5.515600      -2.090700     -0.8283000    
 H   -5.978400      -2.495100      0.8300000    
 H   0.5173000     -0.5329000       2.074000    
 H   0.3838000      0.7234000       3.240300    
 H   0.8223000      -3.586300      -1.265800    
 H    2.635000       1.780800      0.6873000    
 H    3.210700      -3.601700     -0.6793000    
 H    5.242100      -2.388600      0.1217000    
 H    4.970600       1.760100       1.154800    
 H    6.303200     -0.3135000      0.9127000    


%chk=000102640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102640

0 1
O -6.113018 -1.085166 -0.109255
O 0.507302 2.901044 1.693445
N -3.277498 -0.463685 0.123815
N 0.568431 0.710797 2.402502
C 0.277973 1.120863 -0.050942
C 0.829142 2.174654 -1.124104
C -1.278749 1.002921 -0.229124
C -2.046408 0.082830 0.753505
C 1.015192 -0.229629 -0.258705
C 0.483250 1.664917 1.404927
C 0.011408 3.489090 -1.229315
C 0.968760 1.551645 -2.536649
C 2.439128 -0.370346 0.023776
C -4.276455 0.587080 -0.211775
C -3.915287 -1.511905 0.964846
C 0.342282 -1.325640 -0.824479
C -5.478715 -0.042106 -0.932814
C -5.118658 -2.118481 0.225482
C 3.102703 -1.627854 -0.284852
C 0.999050 -2.557897 -1.121121
C 3.249568 0.674815 0.592790
C 2.357462 -2.709699 -0.857118
C 4.505419 -1.781721 -0.022360
C 4.613244 0.497133 0.835151
C 5.254774 -0.741445 0.525352
H -1.491148 0.654910 -1.257806
H -1.683308 2.025139 -0.148647
H 1.843319 2.458647 -0.784922
H -2.275635 0.641984 1.694086
H -1.426208 -0.784590 1.043478
H -0.949944 3.335522 -1.754197
H -0.175431 3.925792 -0.236408
H 0.589911 4.220371 -1.825077
H 0.003180 1.153992 -2.903452
H 1.706497 0.732557 -2.569448
H 1.294816 2.332334 -3.248469
H -3.812475 1.338404 -0.875533
H -4.632161 1.114516 0.709748
H -4.261497 -1.097567 1.945490
H -3.171461 -2.305123 1.172812
H -0.720872 -1.246568 -1.068996
H -6.267586 0.705315 -1.119061
H -5.142417 -0.480607 -1.897444
H -4.769232 -2.616511 -0.704995
H -5.651521 -2.846597 0.859300
H 0.656424 -0.281635 2.188616
H 0.669835 1.031048 3.365833
H 0.423303 -3.377298 -1.565004
H 2.801059 1.634929 0.858047
H 2.874821 -3.648921 -1.085993
H 4.979020 -2.740672 -0.265044
H 5.196156 1.316502 1.269866
H 6.325255 -0.867985 0.720042


