%chk=000057954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057954

0 1
 O   -1.800200     -0.2161000      3.4800000E-02
 N    4.600700     -0.7895000     -0.4475000    
 N    4.309900       1.528800     -0.4047000    
 C   0.1308000       1.184600     -9.9399999E-02
 C   0.3614000      -1.219900     -0.1349000    
 C  -0.4462000     -8.4799998E-02 -6.5800004E-02
 C  -0.7171000       2.411600     -2.5900001E-02
 C  -0.2377000      -2.587300     -0.1002000    
 C    1.515400       1.318900     -0.2021000    
 C    1.746000      -1.085800     -0.2376000    
 C  -0.9399000       2.876400       1.419300    
 C  -0.3642000      -3.128500       1.330000    
 C    2.323000      0.1836000     -0.2712000    
 C   -1.775500       4.144900       1.484600    
 C   -1.005800      -4.506600       1.360100    
 C    3.766600      0.3248000     -0.3774000    
 C   -2.536800     -0.2688000      -1.184400    
 C   -3.980800     -0.4701000     -0.8643000    
 C   -4.949500      0.3837000      -1.213400    
 H   -1.683800       2.269500     -0.5170000    
 H  -0.2346000       3.218300     -0.5945000    
 H   0.3844000      -3.272400     -0.6920000    
 H   -1.215800      -2.613300     -0.5887000    
 H    1.946500       2.316800     -0.2242000    
 H    2.340300      -1.992100     -0.2859000    
 H   -1.441200       2.087600       1.993400    
 H   2.4800001E-02   3.059000       1.908400    
 H  -0.9664000      -2.443000       1.938800    
 H   0.6255000      -3.182200       1.799800    
 H   -1.918200       4.452100       2.525400    
 H   -2.762500       3.986800       1.038400    
 H   -1.284400       4.965400      0.9520000    
 H   -1.080900      -4.867800       2.390500    
 H  -0.4120000      -5.227500      0.7893000    
 H   -2.014400      -4.478400      0.9355000    
 H   -2.195200      -1.104300      -1.805300    
 H   -2.384500      0.6480000      -1.764600    
 H    4.269700      -1.745900     -0.4330000    
 H    5.605900     -0.6700000     -0.5195000    
 H   -4.250400      -1.370600     -0.3188000    
 H    5.327500       1.421300     -0.4801000    
 H   -5.982100      0.1788000     -0.9528000    
 H   -4.733200       1.295100      -1.759600    


%chk=000057954-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057954

0 1
O -1.735558 -0.154678 0.056810
N 4.667706 -0.764776 -0.999881
N 4.503491 1.507572 -0.197898
C 0.271442 1.246681 -0.118564
C 0.457042 -1.233572 -0.154919
C -0.322480 -0.046132 -0.095083
C -0.570184 2.500894 0.055126
C -0.184009 -2.606048 -0.009080
C 1.674509 1.330443 -0.254334
C 1.859527 -1.100791 -0.288893
C -1.016444 2.718130 1.527643
C -0.647010 -2.907255 1.443433
C 2.482844 0.171902 -0.353874
C -1.875326 3.988772 1.698065
C -1.295671 -4.301827 1.573135
C 3.962778 0.343261 -0.515319
C -2.486287 -0.217098 -1.225581
C -3.918145 -0.553711 -0.904102
C -4.992042 0.077298 -1.439105
H -1.480078 2.456476 -0.575816
H 0.010616 3.381995 -0.280529
H 0.539163 -3.385019 -0.324007
H -1.061627 -2.704187 -0.679307
H 2.177385 2.302503 -0.277347
H 2.455765 -2.021995 -0.278386
H -1.585946 1.829605 1.857576
H -0.116370 2.783690 2.170311
H -1.363185 -2.124322 1.752712
H 0.224866 -2.833500 2.122922
H -2.176246 4.128074 2.752829
H -2.798342 3.929208 1.089910
H -1.320990 4.893590 1.382837
H -1.615283 -4.498314 2.613061
H -0.589869 -5.102862 1.280159
H -2.188670 -4.388078 0.924355
H -2.031017 -1.002319 -1.868034
H -2.408298 0.750898 -1.761002
H 4.198031 -1.585684 -1.373474
H 5.680904 -0.720517 -1.084815
H -4.055163 -1.388697 -0.202503
H 5.529773 1.544977 -0.372435
H -6.014253 -0.238097 -1.203432
H -4.882250 0.924609 -2.127666


