%chk=000167873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167873

-1 1
 O   -4.148200       1.479700      0.7378000    
 O  -1.7500000E-02  -3.251800      -1.752100    
 O   -2.113300      -2.571900      -1.759700    
 N    1.027400     -0.2515000     -0.7528000    
 N   -2.806700       1.051200      0.4666000    
 N   -1.006500      -2.724200      -1.223600    
 N    5.078100      6.6100001E-02  0.8060000    
 C   -1.143000     -0.7533000      0.1591000    
 C  -0.2055000      0.1292000     -0.2794000    
 C  -0.8622000      -2.254500      0.1746000    
 C   -2.473000     -0.3017000      0.6504000    
 C  -0.5280000       1.589100     -0.2867000    
 C   -1.835000       2.014800      4.9899999E-02
 C    2.179100     -0.3937000      9.0200000E-02
 C    3.375900     -0.9051000     -0.7111000    
 C   -1.813300      -3.097200      0.9590000    
 C   -3.283000      -1.208600       1.250700    
 C    4.642800      -1.142600      0.1166000    
 C   0.4296000       2.567100     -0.6316000    
 C   -2.937700      -2.588800       1.469400    
 C   -2.137300       3.395900     -1.0700000E-02
 C   0.1083000       3.924200     -0.6755000    
 C   -1.177200       4.338500     -0.3721000    
 C    5.431400       1.110300     -0.1575000    
 C    6.214900     -0.2212000       1.682600    
 H   0.1569000      -2.471500      0.5098000    
 H    2.419900      0.5701000      0.5519000    
 H    1.969300      -1.093600      0.9073000    
 H    1.234100      0.1330000      -1.672600    
 H    3.577200     -0.2392000      -1.558900    
 H    3.097000      -1.864100      -1.169700    
 H   -1.574900      -4.144400       1.124600    
 H   -4.260100     -0.9327000       1.637100    
 H    5.432400      -1.538400     -0.5356000    
 H    4.418700      -1.924600      0.8536000    
 H    1.449100       2.291300     -0.8905000    
 H   -3.620900      -3.206500       2.041100    
 H   -3.128100       3.770300      0.2354000    
 H   0.8652000       4.652100     -0.9524000    
 H   -1.434700       5.392700     -0.4067000    
 H    6.176200      0.7703000     -0.8863000    
 H    5.846000       1.982400      0.3625000    
 H    4.554800       1.486000     -0.6940000    
 H    6.510100      0.6763000       2.237500    
 H    7.085600     -0.5849000       1.124800    
 H    5.943900     -0.9750000       2.430300    


%chk=000167873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167873

-1 1
O -4.254428 1.238998 -0.654652
O 1.812969 -3.159154 1.947702
O 4.050860 -3.327163 2.159133
N 1.125381 0.900145 1.054293
N -2.961890 1.136788 -0.251733
N 2.858790 -3.838049 2.426997
N 4.932680 -0.621184 -0.358196
C -1.029447 -0.262379 0.484905
C -0.192386 0.911563 0.612512
C -0.604653 -1.589784 0.839508
C -2.399513 -0.122298 0.025497
C -0.792880 2.197377 0.301784
C -2.182171 2.286414 -0.091860
C 2.191146 -0.122204 0.915313
C 2.415410 -0.612691 -0.534118
C -1.450068 -2.693276 0.700649
C -3.245994 -1.258286 -0.133428
C 3.715786 -1.444098 -0.599352
C -0.064140 3.436083 0.341322
C -2.774847 -2.532372 0.192719
C -2.800175 3.547700 -0.348362
C -0.670334 4.668585 0.080901
C -2.060104 4.727010 -0.251484
C 5.359518 0.146037 -1.538393
C 6.037971 -1.404878 0.233471
H 0.388994 -1.782093 1.246092
H 3.128682 0.358170 1.250261
H 2.040076 -1.008763 1.564278
H 1.482013 1.818777 1.315187
H 2.450323 0.253993 -1.226017
H 1.572109 -1.254206 -0.852849
H -1.071130 -3.676582 0.996995
H -4.257985 -1.069414 -0.499571
H 3.774059 -1.973797 -1.585178
H 3.668214 -2.214234 0.195878
H 1.012476 3.433025 0.550557
H -3.428957 -3.404714 0.074578
H -3.858077 3.525713 -0.622336
H -0.074396 5.587844 0.116482
H -2.537585 5.694382 -0.446269
H 5.711750 -0.505506 -2.384086
H 6.190969 0.824930 -1.266967
H 4.524171 0.762796 -1.916471
H 6.842922 -0.721933 0.570222
H 6.491707 -2.137831 -0.484951
H 5.649986 -1.969841 1.098337


