%chk=000023059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023059

1 1
 O  -5.9700001E-02   2.812500     -0.4144000    
 N    3.448500     -0.6950000      0.1533000    
 N   -2.009000       1.583200     -2.4599999E-02
 C    2.052900     -0.2268000      0.5397000    
 C    1.189300     -4.6799999E-02 -0.7047000    
 C  -0.2259000      0.3575000     -0.4082000    
 C    4.095300      0.3372000     -0.7591000    
 C    4.292700     -0.8627000       1.408400    
 C    3.353000      -2.027500     -0.5759000    
 C   -1.302700     -0.5261000     -0.1948000    
 C  -0.6696000       1.641200     -0.3017000    
 C   -2.423000      0.2721000      4.6599999E-02
 C   -1.452300      -1.927000     -0.1794000    
 C   -3.690300     -0.2629000      0.3032000    
 C   -2.714000      -2.476400      7.6399997E-02
 C   -3.814400      -1.655100      0.3137000    
 C  -7.0799999E-02   3.702600      0.7217000    
 H    1.626200     -0.9768000       1.217100    
 H    2.156000      0.7153000       1.092300    
 H    1.136100     -0.9628000      -1.300900    
 H    1.605600      0.7232000      -1.363900    
 H    4.005600       1.323200     -0.2939000    
 H    5.151800      7.2800003E-02 -0.8717000    
 H    3.624400      0.3174000      -1.744900    
 H    4.348300      0.1034000       1.918700    
 H    3.813600      -1.608700       2.049400    
 H    5.292700      -1.197200       1.116300    
 H    2.721200      -2.704200      7.0000002E-03
 H    2.958100      -1.880700      -1.583900    
 H    4.363900      -2.440300     -0.6572000    
 H   -2.610300       2.385000      0.1044000    
 H  -0.6048000      -2.582000     -0.3607000    
 H   -4.547600      0.3756000      0.4881000    
 H   -2.835100      -3.556200      9.0099998E-02
 H   -4.785200      -2.102900      0.5102000    
 H   -1.078100       4.098300      0.8818000    
 H   0.6051000       4.533900      0.5039000    
 H   0.2840000       3.180100       1.615800    


%chk=000023059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023059

1 1
O 0.344953 2.562505 0.265887
N 3.576018 -0.728880 0.113092
N -1.874289 1.523182 0.590818
C 2.089764 -0.351424 0.420156
C 1.159761 -0.179471 -0.800692
C -0.201253 0.219338 -0.286759
C 4.245954 0.374149 -0.700983
C 4.308118 -0.879282 1.445407
C 3.648524 -2.047718 -0.649134
C -1.393336 -0.599286 -0.144856
C -0.537030 1.493394 0.179479
C -2.428182 0.239682 0.397990
C -1.698008 -1.954191 -0.441212
C -3.732905 -0.226199 0.650231
C -3.000631 -2.429634 -0.188640
C -4.006410 -1.578273 0.351943
C -0.236134 3.917276 0.377450
H 1.704274 -1.146397 1.082299
H 2.132937 0.595650 0.985580
H 1.070946 -1.118284 -1.375730
H 1.548072 0.604267 -1.477578
H 4.141606 1.328331 -0.162710
H 5.311494 0.127813 -0.829969
H 3.761509 0.448734 -1.684172
H 4.238165 0.067960 2.001353
H 3.835321 -1.685271 2.026884
H 5.364532 -1.125131 1.255710
H 3.108039 -2.820011 -0.080767
H 3.189071 -1.924759 -1.639792
H 4.704562 -2.337784 -0.764854
H -2.371979 2.322627 0.976752
H -0.942741 -2.624338 -0.869154
H -4.511348 0.426456 1.059755
H -3.251011 -3.471477 -0.414940
H -5.008807 -1.978328 0.535142
H -0.944435 4.111031 -0.448830
H 0.618089 4.604510 0.305743
H -0.731715 4.055631 1.357301


