%chk=000153661.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153661

0 1
 O    3.977900      -2.709700     -0.1256000    
 N    1.515700       2.230600      0.1862000    
 N   -3.748800      -1.143000      6.9799997E-02
 C   0.2737000       1.931300     -0.5098000    
 C   8.6499996E-02  0.4224000     -0.3143000    
 C    1.456500     -8.6400002E-02 -0.1810000    
 C   -1.124000     -0.1489000     -0.1329000    
 C    2.252400       1.033000      0.1268000    
 C  -0.8791000       2.766800     -4.6599999E-02
 C   -2.280900      0.7892000     -1.8999999E-02
 C   -2.093500       2.225300      0.1351000    
 C    2.026300      -1.344200     -0.2856000    
 C   -1.371300      -1.580600      3.7999999E-02
 C    3.602200      0.8972000      0.4132000    
 C   -3.508800      0.2333000      6.3199997E-02
 C   -2.647800      -1.997900      0.1073000    
 C    3.394700      -1.481200     -3.1700000E-02
 C    4.174600     -0.3718000      0.3251000    
 C   -5.106300      -1.665500      0.1818000    
 H   0.4226000       2.131900      -1.581300    
 H    1.983600       3.124200      0.1112000    
 H  -0.7444000       3.838300      6.6699997E-02
 H   -2.935100       2.846500      0.4231000    
 H    1.441300      -2.211000     -0.5678000    
 H  -0.5680000      -2.298800      9.7199999E-02
 H    4.208400       1.754700      0.6862000    
 H   -4.409600      0.8287000      0.1739000    
 H   -2.896600      -3.047500      0.2169000    
 H    5.234700     -0.4959000      0.5310000    
 H   -5.394100      -1.744300       1.235400    
 H   -5.189300      -2.657800     -0.2755000    
 H   -5.825400      -1.013600     -0.3266000    
 H    3.301700      -3.361800     -0.3780000    


%chk=000153661-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153661

0 1
O 4.050367 -2.770853 0.122072
N 1.611601 2.294829 0.029093
N -3.822930 -1.157735 0.001435
C 0.249135 1.996110 -0.495080
C 0.118295 0.479173 -0.273294
C 1.481137 -0.036177 -0.144006
C -1.136760 -0.103394 -0.141868
C 2.355775 1.094024 0.032597
C -0.890275 2.778663 0.120975
C -2.324781 0.767869 0.028757
C -2.117293 2.196442 0.273701
C 2.034848 -1.341007 -0.104168
C -1.424037 -1.533392 -0.089847
C 3.740109 0.928546 0.239266
C -3.594965 0.218762 0.093614
C -2.712302 -2.015827 -0.040195
C 3.429054 -1.496289 0.092617
C 4.279140 -0.379694 0.262702
C -5.184119 -1.701090 0.132494
H 0.250674 2.193774 -1.601145
H 2.062481 3.170943 -0.240000
H -0.725998 3.833694 0.371934
H -2.968915 2.784366 0.639875
H 1.410140 -2.229561 -0.250576
H -0.613635 -2.262887 -0.123506
H 4.396812 1.793207 0.385001
H -4.481989 0.841431 0.244196
H -2.937578 -3.085305 -0.035404
H 5.349827 -0.549626 0.408627
H -5.462256 -1.863361 1.192788
H -5.255128 -2.663419 -0.401534
H -5.910818 -1.006352 -0.320940
H 3.374184 -3.482363 0.002218


