%chk=000068882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068882

0 1
 O   0.4438000      -2.844700     -0.9749000    
 N   -2.228900       1.319000     -0.2467000    
 N   0.6594000     -0.8916000      0.2727000    
 C   -1.615600      0.1525000      0.4249000    
 C   -2.148400      -1.172700     -0.1381000    
 C  -0.1473000      0.2026000      0.2608000    
 C   -1.387200      -2.336000      0.5372000    
 C   -3.662000      -1.230700      8.1200004E-02
 C   0.1381000      -2.252000      0.2853000    
 C   0.5969000       1.330900      4.2100001E-02
 C   -3.678200       1.321400     -4.4000000E-03
 C   -4.325900      2.0800000E-02 -0.5041000    
 C   -1.588800       2.579000      0.2095000    
 C  -7.1599998E-02   2.650800     -0.1429000    
 C    1.972000     -0.4836000      0.1536000    
 C    1.956700      0.9165000     -3.3000000E-03
 C    3.166700      -1.218200      0.1426000    
 C    3.180700       1.592400     -0.1817000    
 C    4.365200     -0.5197000     -2.6500000E-02
 C    4.374300      0.8632000     -0.1874000    
 H   -1.828200      0.2008000       1.504300    
 H   -1.955100      -1.223900      -1.220300    
 H   -1.568300      -2.294200       1.619300    
 H   -1.780200      -3.293900      0.1769000    
 H   -3.887100      -1.293500       1.153200    
 H   -4.080600      -2.127800     -0.3887000    
 H   0.6791000      -2.801300       1.063800    
 H   -4.140800       2.161900     -0.5353000    
 H   -3.895300       1.450900       1.063900    
 H   -4.259500     -1.7500000E-02  -1.599100    
 H   -5.392100      2.1600001E-02 -0.2507000    
 H   -1.709300       2.684700       1.296500    
 H   -2.083900       3.441400     -0.2533000    
 H   0.4120000       3.416400      0.4734000    
 H   3.6400001E-02   2.949000      -1.193200    
 H   0.1674000      -3.776100     -0.9347000    
 H    3.168500      -2.297000      0.2594000    
 H    3.204700       2.670700     -0.3125000    
 H    5.304500      -1.066800     -3.7000000E-02
 H    5.318900       1.383600     -0.3215000    


%chk=000068882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068882

0 1
O 0.394399 -2.764894 -1.058591
N -2.237219 1.333529 -0.221747
N 0.657060 -0.921249 0.383962
C -1.640207 0.156158 0.454711
C -2.151378 -1.191374 -0.101918
C -0.156844 0.225716 0.319388
C -1.378234 -2.306525 0.642532
C -3.684113 -1.246060 0.054804
C 0.139372 -2.275899 0.323768
C 0.594294 1.360484 0.088510
C -3.708671 1.320578 -0.035454
C -4.320159 0.012891 -0.590875
C -1.594538 2.592841 0.256065
C -0.092950 2.685782 -0.141891
C 1.992757 -0.504532 0.183755
C 1.981045 0.929698 0.005795
C 3.182117 -1.257050 0.140617
C 3.211498 1.604195 -0.200843
C 4.392115 -0.558853 -0.063650
C 4.406573 0.856036 -0.230324
H -1.918437 0.174232 1.550871
H -1.891365 -1.236546 -1.178114
H -1.522512 -2.192659 1.736798
H -1.765964 -3.305161 0.364186
H -3.947210 -1.283596 1.133679
H -4.094638 -2.162877 -0.410860
H 0.697436 -2.922665 1.034913
H -4.137327 2.192274 -0.564036
H -3.980550 1.419661 1.050946
H -4.153725 -0.014785 -1.684772
H -5.413340 0.021890 -0.417196
H -1.680137 2.677829 1.371449
H -2.146361 3.444678 -0.182465
H 0.375759 3.505507 0.438623
H -0.012980 2.964306 -1.211797
H 0.210325 -3.739569 -1.084285
H 3.172646 -2.347276 0.238844
H 3.233445 2.691320 -0.338396
H 5.335500 -1.115162 -0.103123
H 5.363519 1.366025 -0.389578


