%chk=000129709.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129709

0 1
 O   -1.554900      -2.574900       1.917300    
 N   -4.059500     -1.7500000E-02 -0.5779000    
 N   -6.288600       1.670900      0.1565000    
 N   -2.686300      -2.383600       1.122600    
 C   -4.696000     -0.1258000      0.7405000    
 C   -5.030500      0.4409000      -1.579000    
 C   -5.317800       1.211500       1.157300    
 C   -5.653600       1.777800      -1.162700    
 C   -3.467500      -1.293300     -0.9752000    
 C   -6.878700       2.947700      0.5536000    
 C   -2.423300      -1.668000      6.7800000E-02
 C   -1.021100      -1.184100     -0.1231000    
 C    1.556300     -0.2955000     -0.4719000    
 C    2.955700      0.1851000     -0.6600000    
 C  -0.6673000      3.0500000E-02  0.4148000    
 C  -0.1441000      -1.974500     -0.8274000    
 C   0.6407000      0.4816000      0.2378000    
 C    1.164000      -1.523500      -1.004400    
 C    3.925300     -0.2523000      0.4556000    
 C    5.326600      0.2754000      0.2660000    
 C    6.243400     -0.4740000     -0.4543000    
 C    5.671700       1.499900      0.8160000    
 C    7.538600      1.3600000E-02 -0.6292000    
 C    6.966800       1.987500      0.6410000    
 C    7.900200       1.244400     -8.1600003E-02
 H   -3.972100     -0.3571000       1.526700    
 H   -5.463900     -0.9111000      0.7473000    
 H   -5.822600     -0.3058000      -1.726600    
 H   -4.529200      0.5802000      -2.544600    
 H   -5.819600       1.073300       2.122800    
 H   -4.525000       1.957800       1.304900    
 H   -4.882300       2.560200      -1.163800    
 H   -6.403000       2.057400      -1.913200    
 H   -2.971500      -1.202600      -1.948500    
 H   -4.209800      -2.097700      -1.043000    
 H   -7.635100       3.264100     -0.1732000    
 H   -6.129100       3.742600      0.6393000    
 H   -7.390500       2.851300       1.517600    
 H    3.333300     -0.1621000      -1.631500    
 H    2.954400       1.281100     -0.7370000    
 H   -1.375100      0.6379000      0.9703000    
 H  -0.4461000      -2.930900      -1.242800    
 H    3.543700      7.7100001E-02   1.431600    
 H    3.953600      -1.348700      0.5156000    
 H   0.9349000       1.438700      0.6601000    
 H    1.868600      -2.139300      -1.557100    
 H    5.970300      -1.432500     -0.8862000    
 H    4.951100       2.086600       1.378300    
 H   -1.914600      -3.112000       2.643300    
 H    8.265200     -0.5648000      -1.192400    
 H    7.248400       2.946200       1.066800    
 H    8.908500       1.624200     -0.2181000    


%chk=000129709-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129709

0 1
O -2.141231 -4.058966 0.992960
N -3.994122 -0.061213 -0.467418
N -5.662879 2.041372 0.619766
N -3.118821 -3.229459 0.277153
C -4.552451 -0.158743 0.906022
C -4.902159 0.727924 -1.339402
C -4.762770 1.246731 1.489724
C -5.112907 2.132832 -0.752160
C -3.689646 -1.389843 -1.065490
C -5.976710 3.364503 1.190373
C -2.593805 -2.170733 -0.329181
C -1.178853 -1.725046 -0.418218
C 1.522571 -0.786761 -0.750678
C 2.948420 -0.281509 -0.887377
C -0.906341 -0.379649 -0.809624
C -0.066356 -2.590054 -0.187199
C 0.416192 0.075358 -0.966820
C 1.251689 -2.123374 -0.361186
C 3.512448 0.275877 0.463415
C 4.936795 0.788861 0.319082
C 6.044128 -0.080375 0.498729
C 5.190585 2.137761 -0.041571
C 7.367797 0.382474 0.322642
C 6.512002 2.606386 -0.219317
C 7.606493 1.728969 -0.038611
H -3.847384 -0.724375 1.539590
H -5.528266 -0.704593 0.905483
H -5.898049 0.230125 -1.450002
H -4.446583 0.812458 -2.344605
H -5.223306 1.162436 2.492033
H -3.763759 1.740531 1.608258
H -4.133697 2.678996 -0.767750
H -5.826653 2.693251 -1.385200
H -3.357637 -1.216616 -2.107483
H -4.594191 -2.042334 -1.099233
H -6.699059 3.889283 0.539202
H -5.077070 4.021461 1.309127
H -6.441471 3.239611 2.184990
H 3.615597 -1.094119 -1.233036
H 3.001433 0.523472 -1.644989
H -1.753268 0.301730 -0.946390
H -0.243501 -3.622466 0.115131
H 2.842580 1.084132 0.813471
H 3.465269 -0.530753 1.219574
H 0.596895 1.115905 -1.265484
H 2.089032 -2.813154 -0.194620
H 5.865977 -1.124786 0.785333
H 4.346261 2.825883 -0.176794
H -2.728295 -4.747020 1.399578
H 8.210731 -0.302345 0.470983
H 6.688849 3.652949 -0.493179
H 8.632095 2.090915 -0.172903


