%chk=000060332.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060332

0 1
 O    1.831000      0.8542000      -1.304300    
 N    1.185500       1.619000      0.7905000    
 N    2.357600      -1.609000     -0.2112000    
 C   0.4943000       2.817900      0.3474000    
 C  -0.6503000       2.438500     -0.6239000    
 C   -1.715000       1.498900     -3.8899999E-02
 C   -2.763600       1.132800      -1.094400    
 C    1.499100       3.710100     -0.4010000    
 C  -2.5000000E-02   3.585000       1.571400    
 C   -3.876100      0.2266000     -0.5588000    
 C   -3.358700      -1.079400      4.8099998E-02
 C    1.797400      0.7365000     -8.1299998E-02
 C    2.411000     -0.4382000      0.6525000    
 C   -4.510800      -1.948600      0.5543000    
 C   0.9726000      -1.930200     -0.5630000    
 C    2.994900      -2.758500      0.4354000    
 C   -4.002000      -3.231100       1.193300    
 C   0.9041000      -3.151200      -1.464600    
 C    4.453900      -2.473200      0.7484000    
 H  -0.2558000       1.991400      -1.543400    
 H   -1.152100       3.361700     -0.9463000    
 H   -1.223000      0.5934000      0.3275000    
 H   -2.214300       1.974000      0.8123000    
 H   -2.270900      0.6317000      -1.936800    
 H   -3.219100       2.047700      -1.492400    
 H    2.386500       3.906700      0.2125000    
 H    1.047600       4.678100     -0.6490000    
 H    1.844100       3.274300      -1.343300    
 H   0.8042000       3.916800       2.207700    
 H  -0.5949000       4.471600       1.273200    
 H  -0.6709000       2.960200       2.197500    
 H    1.218400       1.429400       1.788100    
 H   -4.450000      0.7765000      0.1975000    
 H   -4.568800      8.9999998E-04  -1.378500    
 H   -2.776000      -1.630400     -0.6998000    
 H   -2.693900     -0.8712000      0.8930000    
 H    1.896100     -0.6160000       1.604700    
 H    3.437800     -0.1244000      0.8680000    
 H   -5.102800      -1.392200       1.290400    
 H   -5.179500      -2.200400     -0.2769000    
 H   0.3626000      -2.109600      0.3322000    
 H   0.4895000      -1.118400      -1.115000    
 H    2.469700      -3.056800       1.351500    
 H    3.011800      -3.624700     -0.2335000    
 H   -4.841900      -3.838900       1.544200    
 H   -3.358200      -3.013600       2.051600    
 H   -3.428300      -3.825900      0.4753000    
 H    1.616300      -3.086300      -2.294400    
 H    1.068200      -4.086600     -0.9207000    
 H  -9.7999997E-02  -3.223300      -1.903100    
 H    4.980500      -2.055600     -0.1167000    
 H    4.574300      -1.795100       1.598800    
 H    4.960700      -3.406300       1.019700    


%chk=000060332-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060332

0 1
O 1.826727 0.849293 -1.318826
N 1.221164 1.689727 0.777190
N 2.267706 -1.702117 0.187429
C 0.515168 2.934973 0.335161
C -0.667633 2.587715 -0.624802
C -1.730609 1.619067 -0.065405
C -2.773126 1.227200 -1.139523
C 1.519641 3.859647 -0.402614
C 0.010005 3.631687 1.621687
C -3.883092 0.272944 -0.635563
C -3.378881 -1.133897 -0.235073
C 1.831834 0.765736 -0.054309
C 2.573184 -0.360923 0.706922
C -4.523568 -2.108534 0.125345
C 0.850099 -2.086361 0.409957
C 3.245337 -2.730003 0.624317
C -4.015813 -3.507760 0.536216
C 0.372091 -3.222571 -0.513669
C 4.643611 -2.545509 0.002757
H -0.233015 2.152107 -1.543311
H -1.151388 3.543820 -0.912381
H -1.224937 0.708674 0.311125
H -2.260337 2.071049 0.798655
H -2.247320 0.755604 -1.995525
H -3.242616 2.152507 -1.533880
H 2.358225 4.135333 0.262687
H 1.013125 4.786736 -0.728182
H 1.925769 3.348248 -1.290848
H 0.857009 3.927238 2.269666
H -0.548122 4.546933 1.358984
H -0.665990 2.978838 2.203903
H 1.256674 1.509035 1.783297
H -4.404137 0.735527 0.229361
H -4.646804 0.158973 -1.432900
H -2.786323 -1.559006 -1.072921
H -2.687734 -1.059116 0.629365
H 2.365265 -0.271866 1.810486
H 3.652963 -0.168137 0.571790
H -5.125663 -1.674334 0.949933
H -5.207814 -2.201290 -0.742711
H 0.661866 -2.361994 1.481919
H 0.232385 -1.193705 0.198491
H 3.330948 -2.769417 1.743101
H 2.853264 -3.711625 0.305701
H -4.851044 -4.186215 0.790245
H -3.350990 -3.443936 1.418942
H -3.438700 -3.975378 -0.284385
H 0.555277 -2.946894 -1.566343
H 0.886154 -4.179354 -0.310787
H -0.711728 -3.392740 -0.373115
H 4.559106 -2.473814 -1.095145
H 5.154039 -1.635932 0.367733
H 5.288547 -3.407384 0.255651


