%chk=000168692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168692

0 1
 O    4.428300       1.678300      8.4899999E-02
 O   -4.423900      -1.677900      8.8100001E-02
 N    5.672000     -0.2767000     -1.5000000E-03
 N   -5.672700      0.2734000      3.9999999E-04
 C   0.6491000     -0.4031000     -5.4800000E-02
 C  -0.6490000      0.4097000     -1.1100000E-02
 C    1.912400      0.4627000      1.0000000E-03
 C   -1.911700     -0.4589000     -2.5000000E-02
 C    3.192900     -0.3772000     -2.6799999E-02
 C   -3.193400      0.3791000     -4.6999998E-02
 C    4.474800      0.4472000      2.1700000E-02
 C   -4.473500     -0.4472000      1.7600000E-02
 C    6.976500      0.3716000      4.7699999E-02
 C    5.702300      -1.735300     -7.6499999E-02
 C   -6.975500     -0.3773000      6.4900003E-02
 C   -5.708500       1.731500     -8.3600000E-02
 H   0.6643000      -1.006200     -0.9709000    
 H   0.6586000      -1.105900      0.7875000    
 H  -0.6531000       1.034200      0.8907000    
 H  -0.6703000       1.092400     -0.8695000    
 H    1.896300       1.074000      0.9119000    
 H    1.913400       1.161300     -0.8449000    
 H   -1.894500      -1.118800     -0.9013000    
 H   -1.911700      -1.110500      0.8576000    
 H    3.196600     -0.9680000     -0.9500000    
 H    3.182500      -1.052400      0.8366000    
 H   -3.178800       1.056200      0.8149000    
 H   -3.204500      0.9681000     -0.9712000    
 H    7.536100      0.1103000     -0.8551000    
 H    7.514600      1.7999999E-02  0.9317000    
 H    6.874100       1.458300      0.1026000    
 H    6.235100      -2.112000      0.8023000    
 H    6.256900      -2.020200     -0.9762000    
 H    4.726600      -2.216000     -0.1132000    
 H   -7.506500     -1.9700000E-02  0.9517000    
 H   -6.870200      -1.463400      0.1253000    
 H   -7.543600     -0.1225000     -0.8342000    
 H   -6.268100       2.008900     -0.9825000    
 H   -4.734300       2.214500     -0.1277000    
 H   -6.238300       2.112200      0.7954000    


%chk=000168692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168692

0 1
O 4.459228 1.629951 0.002147
O -4.460056 -1.630386 -0.014897
N 5.707165 -0.331018 -0.015249
N -5.708104 0.330584 -0.014814
C 0.638388 -0.434768 -0.015068
C -0.639301 0.434547 -0.011810
C 1.935344 0.403112 -0.011203
C -1.936243 -0.403360 -0.015773
C 3.199896 -0.478491 -0.015503
C -3.200832 0.478195 -0.012499
C 4.491724 0.357623 -0.008878
C -4.492619 -0.358013 -0.014094
C 6.964882 0.434969 -0.009547
C 5.855648 -1.791814 -0.027631
C -6.965770 -0.435504 -0.017594
C -5.856690 1.791420 -0.012418
H 0.623504 -1.097764 -0.905935
H 0.623093 -1.104961 0.870378
H -0.624512 1.097370 0.879181
H -0.623927 1.104905 -0.897134
H 1.958077 1.066571 0.873581
H 1.957844 1.074871 -0.889744
H -1.958364 -1.067155 -0.900378
H -1.959305 -1.074783 0.862950
H 3.187404 -1.138941 -0.907014
H 3.185774 -1.149838 0.867855
H -3.187052 1.141300 0.877097
H -3.188060 1.146907 -0.897796
H 7.566053 0.206291 -0.911237
H 7.567648 0.190395 0.886895
H 6.713078 1.506157 0.000184
H 6.417203 -2.134136 0.864766
H 6.415384 -2.119249 -0.926748
H 4.878948 -2.294511 -0.030832
H -7.568413 -0.201259 0.881688
H -6.713895 -1.506716 -0.020068
H -7.567096 -0.196548 -0.916508
H -6.412484 2.128593 -0.910396
H -4.880043 2.294187 -0.005601
H -6.422220 2.123970 0.881148


