%chk=000030223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030223

0 1
 O    2.043200       1.346300     -0.9692000    
 N   0.4928000      0.1211000      0.2808000    
 N   -4.441600     -0.4764000      0.1731000    
 C   0.2295000       2.610400     -5.2999999E-02
 C  -0.7400000      9.3300000E-02   1.083100    
 C    1.009800       1.303200     -0.2926000    
 C   0.7219000       3.278900       1.249200    
 C   0.3299000       3.575300      -1.254000    
 C   -1.985600     -0.1542000      0.2345000    
 C    1.208800      -1.120700      6.9399998E-02
 C   -3.290800     -0.2258000       1.032300    
 C    2.175300      -1.473400      0.9753000    
 C   0.8829000      -1.878000      -1.025700    
 C    2.210300       3.607300       1.278800    
 C  -0.2721000       2.985000      -2.524300    
 C    2.865200      -2.668400      0.7713000    
 C    1.573000      -3.073000      -1.229500    
 C    2.521200     -0.6378000       2.165100    
 C  -0.1735000      -1.481700      -2.005800    
 C    2.564100      -3.468100     -0.3310000    
 C   -4.254100      -1.709200     -0.5938000    
 C   -5.669900     -0.5540000      0.9661000    
 H  -0.8362000       2.397900      6.2199999E-02
 H  -0.8527000       1.013900       1.657500    
 H  -0.6443000     -0.7093000       1.825500    
 H   0.5138000       2.628700       2.105800    
 H   0.1526000       4.201400       1.416800    
 H  -0.1964000       4.507700      -1.016700    
 H    1.373100       3.839300      -1.460200    
 H   -1.842800      -1.129900     -0.2219000    
 H   -2.070000      0.5899000     -0.5651000    
 H   -3.200000     -0.9991000       1.807000    
 H   -3.426000      0.7318000       1.550700    
 H    2.461700       4.089600       2.229500    
 H    2.488100       4.298600      0.4785000    
 H    2.828900       2.710100       1.195900    
 H  -0.2375000       3.722700      -3.332400    
 H   0.2739000       2.098800      -2.860300    
 H   -1.318800       2.705200      -2.367600    
 H    3.640800      -2.991600       1.460700    
 H    1.346600      -3.705900      -2.083600    
 H    2.933800      0.3251000       1.849500    
 H    1.641700     -0.4684000       2.793800    
 H    3.275000      -1.122400       2.795400    
 H   -1.063100      -2.106800      -1.889700    
 H  -0.4445000     -0.4252000      -1.980100    
 H   0.2033000      -1.649700      -3.022900    
 H    3.101100      -4.398800     -0.4897000    
 H   -3.520500      -1.580000      -1.395300    
 H   -3.963400      -2.557600      3.6600001E-02
 H   -5.183500      -1.983100      -1.108300    
 H   -6.542100     -0.6788000      0.3147000    
 H   -5.649800      -1.385400       1.680100    
 H   -5.827400      0.3762000       1.523500    


%chk=000030223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030223

0 1
O 2.054886 1.283354 -1.105533
N 0.532014 0.140027 0.226219
N -4.481435 -0.524521 0.405691
C 0.226820 2.622216 -0.162630
C -0.705258 0.072263 1.048581
C 0.997475 1.304899 -0.399564
C 0.764953 3.327673 1.128260
C 0.327133 3.533694 -1.411799
C -1.973093 -0.280708 0.235867
C 1.253519 -1.112965 0.035438
C -3.208572 -0.392516 1.152856
C 1.965102 -1.666498 1.140052
C 1.227219 -1.768197 -1.230677
C 2.249375 3.750445 1.066544
C -0.498373 3.013226 -2.607677
C 2.614431 -2.914370 0.971467
C 1.889086 -3.014641 -1.355992
C 2.070915 -0.937337 2.469092
C 0.557964 -1.146326 -2.439685
C 2.570758 -3.592307 -0.264314
C -4.573466 -1.775226 -0.375647
C -5.653287 -0.346253 1.288396
H -0.846502 2.403664 0.004010
H -0.849712 1.027169 1.583557
H -0.549443 -0.702285 1.821427
H 0.616300 2.659879 2.002148
H 0.134295 4.221840 1.307304
H -0.020969 4.548230 -1.130789
H 1.387967 3.613391 -1.708113
H -1.794318 -1.233303 -0.296347
H -2.168201 0.496990 -0.527189
H -3.059180 -1.245519 1.870514
H -3.282384 0.528912 1.765340
H 2.562013 4.200270 2.026973
H 2.422644 4.498053 0.272579
H 2.905099 2.887980 0.854401
H -0.423115 3.700144 -3.470388
H -0.131175 2.024086 -2.937433
H -1.570337 2.914753 -2.347604
H 3.170614 -3.343406 1.813618
H 1.872041 -3.528238 -2.324451
H 2.085152 0.157306 2.326987
H 1.222750 -1.171734 3.142905
H 2.994126 -1.230114 2.997970
H 0.411599 -1.892055 -3.239703
H -0.421852 -0.700412 -2.193216
H 1.191838 -0.329304 -2.832280
H 3.077915 -4.556662 -0.380764
H -3.771920 -1.817791 -1.131804
H -4.503100 -2.696011 0.259534
H -5.539562 -1.801414 -0.910156
H -6.578593 -0.364617 0.685241
H -5.742109 -1.135961 2.078474
H -5.594350 0.635227 1.792312


