%chk=000118327.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118327

0 1
 O   1.8100001E-02   2.334100     -0.3200000    
 N   -1.441400     -3.3100002E-02 -5.5700000E-02
 N   -2.132400      -1.173700      7.0500001E-02
 N   -2.114600       1.122400     -0.1361000    
 C    2.722600      -2.608900      4.1299999E-02
 C    1.984500      -1.263500     -5.6400001E-02
 C    2.853300       2.358700     -0.4144000    
 C    2.060400       1.101200     -0.2734000    
 C    2.730400     -0.1190000     -0.1847000    
 C    3.650400      -2.603800       1.275500    
 C    3.570100      -2.830200      -1.230200    
 C    1.783500      -3.828400      0.1814000    
 C   0.6129000      -1.269000     -1.1000000E-02
 C   0.6665000       1.136300     -0.2310000    
 C    3.824000       2.636400      0.7652000    
 C  -5.7300001E-02 -4.8900001E-02 -9.9799998E-02
 C    3.661500       2.374400      -1.728500    
 C    3.110600       2.709800       2.109700    
 C   -3.404800     -0.7439000      7.5999998E-02
 C   -3.393500      0.7201000     -5.6000002E-02
 C   -4.600700      -1.478100      0.1831000    
 C   -4.577900       1.479700     -8.3499998E-02
 C   -5.768500     -0.6937000      0.1527000    
 C   -5.757600      0.7209000      2.5300000E-02
 H    2.201200       3.235700     -0.4817000    
 H    3.814100     -0.1473000     -0.2167000    
 H    4.155900      -3.569600       1.392800    
 H    4.434400      -1.841800       1.207000    
 H    3.083700      -2.411200       2.194300    
 H    4.352700      -2.073000      -1.349100    
 H    4.072300      -3.804500      -1.204800    
 H    2.945100      -2.801700      -2.130700    
 H    2.363300      -4.757800      0.2464000    
 H    1.176100      -3.778200       1.092800    
 H    1.118600      -3.938100     -0.6835000    
 H   4.3699998E-02  -2.183000      9.0599999E-02
 H    4.337500       3.590400      0.5906000    
 H    4.604000       1.867300      0.8185000    
 H    3.005100       2.210400      -2.590500    
 H    4.156100       3.342400      -1.865100    
 H    4.436700       1.600800      -1.745100    
 H    3.820200       2.991700       2.894200    
 H    2.313800       3.460100       2.090200    
 H    2.673800       1.746800       2.390200    
 H   0.4446000       2.962100      0.2870000    
 H   -4.631000      -2.555800      0.2808000    
 H   -4.591400       2.557800     -0.1799000    
 H   -6.732000      -1.195800      0.2309000    
 H   -6.713100       1.243600      1.1200000E-02


%chk=000118327-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118327

0 1
O 0.074683 2.431558 0.031766
N -1.444742 0.056848 0.022425
N -2.112736 -0.859342 0.822536
N -2.218431 0.920739 -0.724792
C 2.741578 -2.724177 -0.189555
C 2.017085 -1.357926 -0.179809
C 3.041446 2.389413 -0.323283
C 2.170249 1.127639 -0.244307
C 2.763188 -0.153902 -0.268689
C 3.709383 -2.800732 1.030203
C 3.562507 -2.871838 -1.506050
C 1.750986 -3.913241 -0.099121
C 0.614472 -1.241966 -0.091013
C 0.752336 1.215458 -0.109090
C 3.737638 2.694103 1.038658
C -0.014127 0.021897 -0.070647
C 4.081181 2.313038 -1.471103
C 2.759636 3.028026 2.184422
C -3.437786 -0.545747 0.579827
C -3.502373 0.548753 -0.366701
C -4.624448 -1.125833 1.112292
C -4.752983 1.074915 -0.798810
C -5.844407 -0.595529 0.676953
C -5.908314 0.490344 -0.267807
H 2.399184 3.269113 -0.560819
H 3.853856 -0.212258 -0.361739
H 4.251813 -3.764990 1.028472
H 4.459707 -1.989985 1.006088
H 3.150912 -2.718343 1.980520
H 4.318091 -2.072114 -1.610670
H 4.094010 -3.842030 -1.517224
H 2.899981 -2.829246 -2.389792
H 2.313970 -4.864474 -0.100106
H 1.152440 -3.878540 0.829731
H 1.056782 -3.933965 -0.959481
H -0.030310 -2.120623 -0.027827
H 4.439244 3.539747 0.891289
H 4.353260 1.816347 1.319559
H 3.597242 2.074452 -2.434357
H 4.608505 3.279029 -1.574809
H 4.845640 1.539588 -1.273418
H 3.304587 3.211453 3.127743
H 2.175041 3.942705 1.961992
H 2.048248 2.201814 2.363193
H 0.723709 3.178200 0.079176
H -4.575336 -1.949845 1.830013
H -4.797356 1.901166 -1.514123
H -6.781752 -1.012674 1.061595
H -6.891989 0.864076 -0.572909


