%chk=000153058.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153058

0 1
 O    5.266800      -2.316500      2.7300000E-02
 N    1.767500       1.955300     -0.1627000    
 N   -4.020200     -0.5676000      0.2214000    
 C   0.6297000       1.384900      0.5552000    
 C   0.7934000     -0.1192000      0.3565000    
 C  -0.7094000       1.949000      0.1178000    
 C  -0.2487000     -0.9586000      0.2080000    
 C    2.233900     -0.3115000      0.1661000    
 C   -1.783900       1.126700     -3.0000001E-04
 C   -1.590000     -0.3447000      0.2226000    
 C    2.752400      0.9548000     -0.1466000    
 C  -0.7417000       3.452700     -1.9500000E-02
 C   -2.724100      -1.075700      0.3402000    
 C  -0.1446000      -2.421600     -0.1279000    
 C   -3.137000       1.614800     -0.2959000    
 C    3.068300      -1.413700      0.2506000    
 C    4.089900       1.120800     -0.4706000    
 C   -4.166300      0.7638000     -0.1539000    
 C    4.425100      -1.246800     -4.1999999E-02
 C    4.930300      8.3999997E-03 -0.4108000    
 C   -5.181400      -1.443000      0.3415000    
 C   -5.510200      -2.112500     -0.9769000    
 H   0.7531000       1.609900       1.625700    
 H    2.028600       2.929700     -8.7899998E-02
 H  -0.2180000       3.918500      0.8230000    
 H   -1.746700       3.878100     -2.3399999E-02
 H  -0.2453000       3.757800     -0.9463000    
 H   -2.714900      -2.147300      0.5077000    
 H   -3.320800       2.634100     -0.6081000    
 H  -0.8541000      -2.698000     -0.9166000    
 H  -0.3506000      -3.032300      0.7570000    
 H   0.8343000      -2.703600     -0.5175000    
 H    2.697600      -2.389000      0.5455000    
 H    4.484700       2.092300     -0.7491000    
 H   -5.188600       1.074000     -0.3391000    
 H    5.984400      0.1295000     -0.6477000    
 H   -4.999700      -2.209100       1.105900    
 H   -6.052600     -0.8736000      0.6895000    
 H   -5.732700      -1.372300      -1.752600    
 H   -4.674800      -2.725700      -1.330700    
 H   -6.384300      -2.761800     -0.8666000    
 H    6.165400      -2.026300     -0.2056000    


%chk=000153058-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153058

0 1
O 5.173857 -2.484502 -0.187670
N 1.853381 2.040563 -0.037610
N -4.072862 -0.603919 0.246330
C 0.616527 1.466788 0.585473
C 0.792306 -0.036932 0.347410
C -0.705321 2.016049 0.086290
C -0.289177 -0.893795 0.265464
C 2.228140 -0.258680 0.131765
C -1.790628 1.160877 0.036731
C -1.636688 -0.309303 0.262677
C 2.828299 1.030106 -0.102879
C -0.749145 3.507992 -0.154026
C -2.771975 -1.102251 0.371193
C -0.092919 -2.389043 0.067312
C -3.168385 1.593155 -0.222457
C 3.037187 -1.417721 0.096817
C 4.202998 1.153411 -0.389111
C -4.240576 0.743736 -0.101435
C 4.416907 -1.285954 -0.181848
C 4.998834 -0.018416 -0.427278
C -5.231302 -1.521273 0.283871
C -5.548714 -2.155926 -1.088519
H 0.691759 1.661836 1.691168
H 2.122611 2.998135 0.192462
H -0.420830 4.072650 0.746374
H -1.752474 3.876991 -0.421084
H -0.063202 3.792464 -0.976591
H -2.709101 -2.174204 0.572017
H -3.374468 2.633324 -0.486202
H -0.989494 -2.874702 -0.352230
H 0.161970 -2.905458 1.013738
H 0.734938 -2.576307 -0.639384
H 2.647821 -2.413935 0.315347
H 4.657087 2.131827 -0.578808
H -5.272016 1.071598 -0.257753
H 6.073532 0.063633 -0.638133
H -5.021882 -2.311269 1.028716
H -6.106310 -0.955281 0.653259
H -5.786263 -1.379670 -1.837158
H -4.686946 -2.736493 -1.462407
H -6.416137 -2.836493 -1.007314
H 6.123462 -2.288904 -0.381314


