%chk=000168547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168547

1 1
 O    5.711300       2.128200     -0.3500000    
 N    4.424300     -0.3908000     -7.5400002E-02
 C   -2.923700      0.2672000     -0.1119000    
 C   -2.069700     -0.8265000     -0.3289000    
 C   -4.310000      3.9600000E-02  5.9999999E-02
 C    5.866500     -0.2693000     -0.2667000    
 C    1.746400     -0.6162000      0.2799000    
 C  -0.6276000     -0.6827000     -0.5161000    
 C    3.604700      7.9200000E-02  -1.025700    
 C    3.967500     -0.9684000       1.044200    
 C   -2.575300      -2.125900     -0.3758000    
 C   0.2908000     -0.7419000      0.4719000    
 C    2.229700     -2.2600001E-02 -0.8707000    
 C    2.601900      -1.097200       1.253000    
 C   -2.432200       1.581700     -6.1799999E-02
 C   -4.801300      -1.275100      9.9999998E-03
 C   -5.163900       1.133400      0.2767000    
 C   -3.938400      -2.349900     -0.2065000    
 C    6.352000       1.047600      0.3147000    
 C   -3.294900       2.656500      0.1550000    
 C   -4.658200       2.432900      0.3239000    
 H    6.359900      -1.121500      0.2134000    
 H    6.070500     -0.3299000      -1.342200    
 H  -0.3428000     -0.5466000      -1.555600    
 H    4.053000      0.5322000      -1.901900    
 H    4.698300      -1.317900       1.763500    
 H  -4.1700002E-02 -0.9087000       1.494600    
 H   -1.920700      -2.978200     -0.5446000    
 H    1.596400      0.3862000      -1.649800    
 H    2.237500      -1.566400       2.161400    
 H   -1.376100       1.806000     -0.1912000    
 H   -5.863200      -1.473800      0.1395000    
 H   -6.232900      0.9820000      0.4113000    
 H   -4.331500      -3.361700     -0.2432000    
 H    6.116700       1.121700       1.380700    
 H    7.434200       1.153400      0.1922000    
 H   -2.902400       3.668600      0.1912000    
 H   -5.329200       3.270100      0.4923000    
 H    5.966700       2.087500      -1.287400    


%chk=000168547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168547

1 1
O 5.981522 2.086889 0.221125
N 4.577904 -0.427188 -0.382198
C -3.076058 0.424397 -0.092674
C -2.074291 -0.592043 0.230999
C -4.477479 0.115637 0.133774
C 6.034515 -0.166679 -0.592590
C 1.793467 -0.891427 0.037531
C -0.659679 -0.331032 0.021328
C 3.653770 0.568174 -0.660518
C 4.140481 -1.644385 0.107941
C -2.509851 -1.838495 0.753600
C 0.398073 -1.194489 0.262933
C 2.294435 0.359848 -0.464068
C 2.789581 -1.889380 0.319337
C -2.762409 1.716030 -0.625110
C -4.848345 -1.160243 0.662998
C -5.486095 1.088117 -0.173655
C -3.877663 -2.124041 0.969083
C 6.626116 0.791572 0.449640
C -3.765958 2.647273 -0.916563
C -5.140939 2.336260 -0.690873
H 6.565654 -1.131942 -0.559145
H 6.168484 0.270650 -1.596872
H -0.409659 0.660459 -0.373814
H 4.068326 1.512603 -1.014198
H 4.907663 -2.394695 0.310654
H 0.195610 -2.198913 0.653227
H -1.776096 -2.610982 1.003525
H 1.620532 1.184595 -0.704802
H 2.492425 -2.869331 0.703352
H -1.725205 2.005295 -0.818327
H -5.910318 -1.376181 0.827284
H -6.536154 0.831435 0.005572
H -4.173838 -3.096207 1.374088
H 6.441288 0.419199 1.478035
H 7.720225 0.845023 0.277043
H -3.494995 3.627214 -1.323312
H -5.913235 3.075455 -0.924351
H 6.340797 2.774329 0.834000


