%chk=000087670.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087670

0 1
 O  -0.3680000      0.9870000      0.4238000    
 O    3.052100      -2.234800     -0.1388000    
 N   -4.527000       1.331700     -0.2820000    
 N    3.592000      3.4200002E-02 -5.6800000E-02
 N    1.866800       1.651700      0.2439000    
 N    5.392200       2.209800     -0.1072000    
 C   -3.128900      0.9535000     -0.4489000    
 C   -2.240300       2.193200     -0.4381000    
 C   -5.392000      0.1525000     -0.3507000    
 C   -4.723600       2.031800      0.9887000    
 C  -0.7740000       1.831300     -0.6327000    
 C   -5.204400     -0.5903000      -1.662600    
 C   -6.163500       2.490200       1.145800    
 C   0.9601000      0.6205000      0.2703000    
 C    1.281100     -0.6842000      0.1507000    
 C    2.723300      -1.054600     -3.1700000E-02
 C   0.2534000      -1.739300      0.1806000    
 C    3.105700       1.323200      8.5100003E-02
 C  -0.3494000      -2.156100      -1.004800    
 C  -0.1131000      -2.318500       1.394100    
 C    4.949900     -0.1458000     -0.2192000    
 C    4.125200       2.419800      4.7800001E-02
 C   -1.322100      -3.155400     -0.9767000    
 C   -1.085600      -3.317900       1.422200    
 C    5.780400      0.9030000     -0.2398000    
 C   -1.690200      -3.736400      0.2368000    
 H   -2.818900      0.2466000      0.3314000    
 H   -2.959000      0.4696000      -1.416200    
 H   -2.549800       2.896300      -1.220500    
 H   -2.283300       2.712100      0.5238000    
 H   -5.217800     -0.5333000      0.4881000    
 H   -6.446400      0.4461000     -0.3255000    
 H   -4.430600       1.416700       1.848600    
 H   -4.145300       2.958000       1.029100    
 H  -0.1942000       2.762900     -0.6388000    
 H  -0.6399000       1.329800      -1.600100    
 H   -5.226800      8.7600000E-02  -2.522700    
 H   -4.276700      -1.170600      -1.687000    
 H   -6.021100      -1.309200      -1.795000    
 H   -6.527800       3.001800      0.2483000    
 H   -6.841500       1.665400       1.385700    
 H   -6.234100       3.201300       1.976900    
 H    5.318000      -1.159100     -0.3291000    
 H  -7.3700003E-02  -1.711700      -1.958000    
 H   0.3496000      -2.002800       2.326000    
 H    3.732800       3.443000      0.1614000    
 H   -1.793900      -3.480200      -1.899400    
 H   -1.372600      -3.770100       2.367100    
 H    6.845700      0.7436000     -0.3686000    
 H   -2.448100      -4.513900      0.2588000    


%chk=000087670-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087670

0 1
O -0.355728 0.827869 0.162956
O 3.264204 -2.381994 0.403330
N -4.562038 1.331519 -0.509311
N 3.599622 -0.180625 -0.339214
N 1.811061 1.422210 -0.473239
N 5.364101 1.794241 -1.332016
C -3.121570 1.291198 -0.881964
C -2.283483 2.276824 -0.037855
C -5.464594 1.037505 -1.655750
C -4.850607 0.479379 0.679341
C -0.781783 2.184093 -0.307484
C -5.590331 2.219144 -2.636608
C -6.106893 0.925392 1.451445
C 0.965411 0.466670 0.020967
C 1.334778 -0.866361 0.376173
C 2.717987 -1.260588 0.180877
C 0.369915 -1.864073 0.914157
C 3.104381 1.103154 -0.642743
C 0.498874 -3.246127 0.587098
C -0.696228 -1.479109 1.779156
C 4.949452 -0.470941 -0.525935
C 4.063863 2.056770 -1.147920
C -0.413954 -4.197094 1.088277
C -1.598756 -2.435145 2.288311
C 5.799576 0.508522 -1.009888
C -1.467879 -3.800177 1.942795
H -2.698684 0.263774 -0.780126
H -3.024960 1.571505 -1.947765
H -2.617322 3.309035 -0.257825
H -2.467738 2.108688 1.039899
H -5.140225 0.118202 -2.207421
H -6.466957 0.817221 -1.245964
H -4.942018 -0.599388 0.392552
H -3.979207 0.541755 1.357630
H -0.205640 2.945443 0.246844
H -0.533957 2.273454 -1.381430
H -5.964494 3.112064 -2.106170
H -4.619988 2.479421 -3.097828
H -6.292199 1.970763 -3.454789
H -5.999014 1.973770 1.780047
H -7.019912 0.856293 0.832563
H -6.259282 0.286777 2.341798
H 5.238553 -1.491031 -0.263783
H 1.322282 -3.573206 -0.051482
H -0.815069 -0.428772 2.054042
H 3.692131 3.056425 -1.391746
H -0.296351 -5.251703 0.815126
H -2.403804 -2.113424 2.959010
H 6.861242 0.302572 -1.160441
H -2.172066 -4.541896 2.336406


