%chk=000028801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028801

0 1
 O    1.032300      0.1093000     -0.1979000    
 O  -0.3211000      0.5857000       1.583000    
 N    4.670800      0.3817000      0.4890000    
 N   -1.190600     -7.6300003E-02 -0.4873000    
 C    3.418900      0.1978000     -0.2582000    
 C    3.535900      -1.241800     -0.7636000    
 C    5.032000      -1.532700     -0.8082000    
 C    5.700400     -0.2515000     -0.3388000    
 C    2.171500      0.3987000      0.5929000    
 C    4.984800       1.780400      0.7544000    
 C  -0.1934000      0.2393000      0.4150000    
 C   -2.588200     -7.4699998E-02 -0.2758000    
 C   -3.212500      -1.229700      0.1742000    
 C   -3.315200       1.081600     -0.5219000    
 C   -4.591800      -1.228500      0.3819000    
 C   -4.694500       1.082800     -0.3140000    
 C   -2.446200      -2.484200      0.4438000    
 C   -2.660200       2.334500      -1.006500    
 C   -5.332700     -7.2300002E-02  0.1379000    
 H    3.380000      0.8615000      -1.134200    
 H    3.083000      -1.351000      -1.755200    
 H    3.045400      -1.958800     -9.3999997E-02
 H    5.267600      -2.363000     -0.1321000    
 H    5.361700      -1.814700      -1.813200    
 H    6.614100     -0.4587000      0.2273000    
 H    5.960700      0.3686000      -1.206400    
 H    2.110100       1.436400      0.9400000    
 H    2.188900     -0.2634000       1.467700    
 H    5.949900       1.862200       1.267000    
 H    4.240500       2.229100       1.419900    
 H    5.033000       2.379000     -0.1623000    
 H  -0.8965000     -0.3459000      -1.422600    
 H   -5.105300      -2.119100      0.7344000    
 H   -5.287300       1.974900     -0.4982000    
 H   -3.107300      -3.317300      0.7065000    
 H   -1.755000      -2.336700       1.280000    
 H   -1.881300      -2.789300     -0.4434000    
 H   -1.980800       2.729200     -0.2441000    
 H   -2.099700       2.145000      -1.928100    
 H   -3.393200       3.117100      -1.231100    
 H   -6.406600     -7.1099997E-02  0.3001000    


%chk=000028801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028801

0 1
O 1.029911 -1.333773 -0.522308
O 0.119581 -0.193108 1.336339
N 4.334565 0.115041 0.625028
N -1.169364 -0.805181 -0.557044
C 3.084144 0.066012 -0.191628
C 3.556572 0.193019 -1.669449
C 5.080687 -0.100561 -1.611011
C 5.474469 0.492755 -0.243279
C 2.372752 -1.266942 0.119769
C 4.239635 0.817813 1.911980
C -0.014566 -0.716778 0.202669
C -2.449180 -0.244099 -0.220415
C -3.110261 -0.599377 0.991247
C -3.051010 0.636704 -1.168982
C -4.377811 -0.018494 1.249251
C -4.325232 1.176624 -0.879097
C -2.512348 -1.585178 1.973917
C -2.334171 0.997568 -2.458646
C -4.984424 0.861384 0.329144
H 2.390831 0.894755 0.073524
H 3.387210 1.223294 -2.032782
H 3.004190 -0.490990 -2.336836
H 5.270908 -1.189242 -1.616068
H 5.637123 0.352907 -2.449102
H 6.421326 0.080835 0.152996
H 5.593209 1.603732 -0.325249
H 2.257962 -1.393589 1.210027
H 2.924739 -2.119059 -0.307447
H 5.149787 0.631046 2.510898
H 3.373969 0.442917 2.485637
H 4.120718 1.924921 1.800219
H -1.032977 -1.169361 -1.502816
H -4.896024 -0.279200 2.179530
H -4.793661 1.857434 -1.599365
H -3.279853 -1.949328 2.677640
H -1.693439 -1.117714 2.549998
H -2.075122 -2.457038 1.452609
H -1.302555 1.345173 -2.264022
H -2.261835 0.136795 -3.154399
H -2.870923 1.799547 -2.992395
H -5.967430 1.292839 0.547818


