%chk=000053341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053341

0 1
 O   -5.577000      1.4000000E-03 -0.9332000    
 N  -0.4674000     -1.1000000E-03 -0.3549000    
 N    3.717900      1.5000000E-03 -0.1260000    
 N   -3.222900     -1.3000000E-03  -1.052100    
 C   0.9519000     -3.0000001E-04 -0.2772000    
 C    1.644900      -1.214600     -0.2393000    
 C    1.643300       1.214800     -0.2395000    
 C    3.047000      -1.166100     -0.1626000    
 C    3.045500       1.168200     -0.1629000    
 C   -1.465500     -6.9999998E-04  0.6282000    
 C   0.9757000      -2.450300     -0.2760000    
 C   0.9726000       2.449700     -0.2764000    
 C   -2.824700     -6.9999998E-04  0.2879000    
 C    3.742600      -2.371700     -0.1245000    
 C    3.739700       2.374600     -0.1250000    
 C    1.694500      -3.641300     -0.2367000    
 C    1.689900       3.641700     -0.2372000    
 C   -1.100800     -5.0000002E-04   1.980600    
 C    3.080800      -3.601600     -0.1609000    
 C    3.076300       3.603600     -0.1613000    
 C   -3.801900     -6.0000003E-04   1.283300    
 C   -2.078100     -1.9999999E-04   2.975900    
 C   -3.428500     -1.9999999E-04   2.627300    
 C   -4.525300     -1.8000000E-03  -1.564700    
 C   -4.530300     -2.4000001E-03  -3.072900    
 H  -0.7809000      0.1042000      -1.311900    
 H  -0.1072000      -2.517500     -0.3404000    
 H  -0.1104000       2.515800     -0.3406000    
 H    4.829600      -2.367000     -6.5200001E-02
 H    4.826500       2.371200     -6.5600000E-02
 H    1.175500      -4.594400     -0.2664000    
 H    1.169700       4.594200     -0.2669000    
 H  -5.7399999E-02 -6.0000003E-04   2.285400    
 H    3.651400      -4.525100     -0.1300000    
 H    3.645700       4.527900     -0.1305000    
 H   -4.866600     -7.9999998E-04   1.101000    
 H   -1.787700       0.000000       4.022500    
 H   -2.482400     -9.7000003E-03  -1.745000    
 H   -4.188400       0.000000       3.403500    
 H   -4.030400      0.8964000      -3.445000    
 H   -5.560200     -1.3700000E-02  -3.440100    
 H   -4.011600     -0.8903000      -3.445200    


%chk=000053341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053341

0 1
O -5.363208 -0.622744 -1.160279
N -0.619769 0.698849 -0.071963
N 3.620639 -0.002794 -0.391761
N -3.072570 -0.133521 -0.993805
C 0.769834 0.445719 -0.118227
C 1.300892 -0.888066 -0.092985
C 1.674888 1.551252 -0.275552
C 2.748099 -1.045973 -0.211280
C 3.095662 1.261133 -0.437561
C -1.545422 0.115459 0.873160
C 0.489796 -2.073867 -0.008704
C 1.257737 2.929511 -0.267006
C -2.843212 -0.257267 0.401848
C 3.309868 -2.371156 -0.174875
C 4.011078 2.353597 -0.641567
C 1.069059 -3.340480 0.005523
C 2.173310 3.962221 -0.459060
C -1.209089 -0.053131 2.233863
C 2.495090 -3.492726 -0.063967
C 3.564667 3.670668 -0.662175
C -3.804489 -0.751306 1.321875
C -2.156543 -0.576400 3.139073
C -3.452764 -0.908400 2.679546
C -4.258357 -0.336956 -1.706696
C -4.098049 -0.179473 -3.218834
H -0.883151 1.640309 -0.380539
H -0.597438 -1.984990 0.051353
H 0.211322 3.195242 -0.069290
H 4.398862 -2.446750 -0.250407
H 5.066157 2.094454 -0.771926
H 0.432024 -4.229354 0.069113
H 1.835343 5.003959 -0.438992
H -0.207608 0.232843 2.572312
H 2.935002 -4.495794 -0.040407
H 4.272358 4.492407 -0.816590
H -4.799903 -1.009470 0.956714
H -1.891114 -0.706233 4.193243
H -2.223173 0.072923 -1.532964
H -4.198752 -1.297376 3.380941
H -3.731461 0.829810 -3.483229
H -5.076983 -0.336285 -3.693626
H -3.383230 -0.919149 -3.624797


