%chk=000042408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042408

0 1
 N   0.5681000      0.4191000     -0.1972000    
 N   -3.997900      0.2202000      0.2943000    
 C   1.7999999E-02   1.708400     -0.1905000    
 C   -1.368200       1.576300     -0.3763000    
 C   -1.660200      0.1979000     -0.4576000    
 C  -0.4753000     -0.4807000     -0.3453000    
 C   0.6119000       2.985600     -7.8599997E-02
 C    2.084200       3.208400      0.1153000    
 C    1.948800      3.9600000E-02 -0.1028000    
 C    2.663300       2.207500       1.101400    
 C    2.935800      0.8698000      0.4624000    
 C   -3.010500     -0.3923000     -0.6029000    
 C   -2.183500       2.723600     -0.4485000    
 C  -0.2332000       4.109900     -0.1816000    
 C  -0.4248000      -1.922900     -0.1460000    
 C   -1.604500       3.984900     -0.3562000    
 C    2.329100      -1.223600     -0.6031000    
 C    4.269700      0.4083000      0.5045000    
 C    3.655300      -1.656100     -0.5528000    
 C    4.627800     -0.8392000      6.9999998E-04
 C  -0.3818000      -2.764800      -1.248600    
 C  -0.4214000      -2.434000       1.144200    
 C   -3.592900      4.5100000E-02   1.686600    
 C   -5.318400     -0.3597000      6.4499997E-02
 C  -0.3345000      -4.145700      -1.057000    
 C  -0.3740000      -3.814800       1.335900    
 C  -0.3307000      -4.670700      0.2352000    
 H    2.592000       3.169500     -0.8559000    
 H    2.244400       4.213700      0.5252000    
 H    3.601000       2.627400       1.488100    
 H    2.016900       2.067000       1.977600    
 H   -3.000400      -1.478800     -0.4555000    
 H   -3.324700     -0.2295000      -1.643000    
 H   -3.255900       2.648900     -0.6031000    
 H   0.1903000       5.110700     -0.1165000    
 H   -2.226400       4.872700     -0.4259000    
 H    1.705800      -1.845000      -1.215500    
 H    5.050600       1.026900      0.9428000    
 H    3.931200      -2.614200     -0.9839000    
 H    5.662400      -1.166100      3.6800001E-02
 H  -0.3962000      -2.371300      -2.262200    
 H  -0.4560000      -1.779100       2.011200    
 H   -2.670500      0.5798000       1.933000    
 H   -3.461700      -1.011300       1.949800    
 H   -4.356000      0.4610000       2.355400    
 H   -5.635300     -0.1996000     -0.9721000    
 H   -5.342200      -1.436200      0.2701000    
 H   -6.068000      0.1275000      0.6982000    
 H  -0.3033000      -4.812100      -1.914000    
 H  -0.3713000      -4.223700       2.342000    
 H  -0.2944000      -5.745800      0.3845000    


%chk=000042408-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042408

0 1
N 0.571993 0.380044 -0.025882
N -4.120541 0.267071 0.108907
C 0.040805 1.696562 -0.137399
C -1.357191 1.572903 -0.444390
C -1.684979 0.160145 -0.474658
C -0.504722 -0.547764 -0.213362
C 0.659423 2.962625 0.037994
C 2.093920 3.142963 0.513217
C 1.968253 0.033896 -0.125737
C 2.582419 1.980959 1.428524
C 2.950188 0.758484 0.609854
C -3.064413 -0.414523 -0.690683
C -2.155762 2.730360 -0.627153
C -0.166348 4.094520 -0.159848
C -0.345695 -1.997948 0.033237
C -1.542455 3.989572 -0.503577
C 2.368418 -1.022378 -0.984864
C 4.307286 0.373420 0.483405
C 3.723579 -1.394297 -1.086481
C 4.703960 -0.700652 -0.342301
C -0.914336 -2.957246 -0.849982
C 0.347312 -2.466470 1.185047
C -3.909700 0.129966 1.564676
C -5.468699 -0.174571 -0.298651
C -0.803222 -4.339808 -0.585485
C 0.460818 -3.847248 1.446552
C -0.115945 -4.792020 0.564362
H 2.792031 3.229096 -0.343545
H 2.157980 4.099197 1.065961
H 3.469302 2.314285 1.997041
H 1.786746 1.749183 2.163071
H -3.047457 -1.513368 -0.480012
H -3.350969 -0.298627 -1.756738
H -3.226238 2.619440 -0.820118
H 0.273141 5.089038 -0.011395
H -2.132496 4.903114 -0.637357
H 1.617373 -1.546368 -1.580530
H 5.062234 0.933932 1.048213
H 4.009185 -2.215425 -1.752839
H 5.759880 -0.982597 -0.413823
H -1.414111 -2.616195 -1.763466
H 0.787894 -1.740471 1.876766
H -2.916179 0.525524 1.834345
H -3.969932 -0.931413 1.916904
H -4.673667 0.718129 2.103925
H -5.618025 0.021873 -1.376153
H -5.653680 -1.265250 -0.117851
H -6.230877 0.395085 0.262467
H -1.244434 -5.062241 -1.281439
H 0.996632 -4.187228 2.339878
H -0.026199 -5.864781 0.768474


