%chk=000049556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049556

0 1
 N    2.311500       1.918200      0.7378000    
 N    4.371900      0.7882000      -1.006600    
 C    2.252000       2.027400     -0.7251000    
 C    3.697100       1.719700       1.181000    
 C    2.981500      0.8980000      -1.463200    
 C    4.429400      0.5899000      0.4463000    
 C    1.416900      0.8817000       1.248700    
 C  -0.9223000      0.2865000      0.6027000    
 C   2.0800000E-02   1.214200      0.8583000    
 C   -2.291400      0.7221000      0.2191000    
 C  -0.4828000      -1.124700      0.6239000    
 C   -2.515400     -0.9461000      -1.780100    
 C   -1.018100      -1.252100      -1.839700    
 C   -3.006000      0.1591000     -0.8616000    
 C  -0.5226000      -1.878000     -0.5611000    
 C    5.064900     -0.2915000      -1.706600    
 C   -2.922600       1.709200       1.008300    
 C  -3.3300001E-02  -1.721100       1.811900    
 C   -4.319300      0.6153000      -1.114100    
 C  -0.1044000      -3.216200     -0.5406000    
 C   -4.216300       2.149900      0.7311000    
 C   0.3794000      -3.053200       1.819200    
 C   -4.915600       1.603200     -0.3335000    
 C   0.3448000      -3.799400      0.6441000    
 H    2.727300       2.979600      -1.001000    
 H    1.230600       2.118700      -1.111000    
 H    3.732300       1.543200       2.263200    
 H    4.243700       2.659100       1.021900    
 H    2.445000     -5.0299998E-02  -1.330300    
 H    2.967000       1.127300      -2.535800    
 H    5.476000      0.5931000      0.7748000    
 H    4.008600     -0.3836000      0.7289000    
 H    1.758400     -9.4200000E-02  0.8992000    
 H    1.467200      0.8870000       2.344600    
 H  -0.2441000       2.270800      0.8427000    
 H   -2.817500     -0.6803000      -2.802600    
 H   -3.061200      -1.862200      -1.515800    
 H  -0.8372000      -1.940700      -2.675000    
 H  -0.4354000     -0.3502000      -2.066300    
 H    4.606600      -1.269000      -1.517800    
 H    6.115300     -0.3378000      -1.398300    
 H    5.062500     -0.1127000      -2.787600    
 H   -2.414700       2.143100       1.868000    
 H  -1.5200000E-02  -1.163600       2.745600    
 H   -4.892900      0.1894000      -1.935700    
 H  -0.1289000      -3.815200      -1.447400    
 H   -4.676300       2.911800       1.353200    
 H   0.7238000      -3.509500       2.742500    
 H   -5.925800       1.935300     -0.5529000    
 H   0.6651000      -4.837200      0.6502000    


%chk=000049556-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049556

0 1
N 2.308738 1.978959 0.472544
N 4.610210 0.801806 -0.934001
C 2.327959 1.786946 -1.001684
C 3.698861 2.096222 0.979290
C 3.232549 0.613890 -1.456329
C 4.613879 0.922674 0.545309
C 1.462644 1.001719 1.214558
C -0.926841 0.260665 0.550061
C 0.001350 1.213406 0.881531
C -2.347383 0.671984 0.268472
C -0.581667 -1.199606 0.521462
C -2.714157 -0.894623 -1.826053
C -1.203922 -1.219991 -1.933898
C -3.153940 0.147388 -0.791143
C -0.690706 -1.930401 -0.695735
C 5.539595 -0.237112 -1.414808
C -2.925016 1.644036 1.140210
C -0.137275 -1.863634 1.692986
C -4.484913 0.625957 -0.932253
C -0.348829 -3.303527 -0.714270
C -4.244907 2.106233 0.982385
C 0.195237 -3.236776 1.667302
C -5.037893 1.590186 -0.067616
C 0.091546 -3.960503 0.457902
H 2.710913 2.719029 -1.459597
H 1.292862 1.629366 -1.355303
H 3.677246 2.173812 2.082524
H 4.129147 3.033356 0.576220
H 2.794171 -0.362461 -1.118702
H 3.275709 0.589424 -2.562160
H 5.650804 1.116668 0.881017
H 4.275509 -0.028396 1.036798
H 1.746438 -0.062374 1.051363
H 1.621999 1.208856 2.294097
H -0.295165 2.271860 0.861386
H -3.069090 -0.552176 -2.818516
H -3.255568 -1.841433 -1.619872
H -1.047547 -1.856078 -2.824994
H -0.640511 -0.280409 -2.100105
H 5.269792 -1.268128 -1.068972
H 6.562567 -0.014837 -1.060278
H 5.553128 -0.241384 -2.519892
H -2.321443 2.015296 1.975420
H -0.072551 -1.299668 2.630659
H -5.095759 0.227807 -1.753079
H -0.425121 -3.860621 -1.656335
H -4.653519 2.848708 1.676758
H 0.530305 -3.736301 2.583164
H -6.069565 1.931313 -0.208086
H 0.350432 -5.024929 0.427763


