%chk=000178553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178553

0 1
 O    2.397400     -0.4781000      0.8478000    
 O    3.356000       2.032600      0.1365000    
 N    6.320900     -1.4600000E-02 -0.4449000    
 N   -3.075000       2.229100     -0.7968000    
 N   -3.439900       1.911300       1.415400    
 N   -2.501500       3.150900     -1.0600000E-02
 N   -2.691700       3.002300       1.307800    
 C   -2.416100      -1.155100     -2.7600000E-02
 C   -3.835600     -0.9611000     -0.2304000    
 C   0.3204000      -1.530500      0.3630000    
 C    1.783500      -1.731000      0.5718000    
 C   -1.540700      -1.082500      -1.111000    
 C   -1.923400      -1.415300       1.251100    
 C   -4.425300      0.3028000     -0.1487000    
 C  -0.1723000      -1.270400     -0.9157000    
 C  -0.5550000      -1.602900       1.446400    
 C    3.689200     -0.3163000      0.4207000    
 C   -4.626700      -2.076600     -0.5153000    
 C    4.159300      0.9390000      6.7900002E-02
 C   -5.797500      0.4501000     -0.3506000    
 C    5.474900       1.036200     -0.3559000    
 C    4.521400      -1.422600      0.3452000    
 C    5.820900      -1.219800     -9.0999998E-02
 C   -5.999000      -1.929300     -0.7172000    
 C   -3.647600       1.479400      0.1431000    
 C   -6.584500     -0.6661000     -0.6348000    
 C    6.038500       2.362200     -0.7494000    
 C    6.750400      -2.383200     -0.1873000    
 C    2.599000       2.359400      -1.029300    
 H    1.957700      -2.412500       1.413900    
 H    2.185800      -2.207200     -0.3331000    
 H   -1.907900     -0.8793000      -2.114200    
 H   -2.592000      -1.473900       2.106800    
 H   0.4998000      -1.207700      -1.767600    
 H  -0.1831000      -1.802600       2.447900    
 H   -4.189300      -3.070300     -0.5839000    
 H   -6.271400       1.427200     -0.2899000    
 H    4.210400      -2.418800      0.6395000    
 H   -6.611800      -2.798300     -0.9384000    
 H   -7.653100     -0.5515000     -0.7919000    
 H    5.856400       3.110300      2.8899999E-02
 H    7.122500       2.296300     -0.8930000    
 H    5.598600       2.703700      -1.690700    
 H    7.735900      -2.070500     -0.5481000    
 H    6.882600      -2.847300      0.7953000    
 H    6.356500      -3.128600     -0.8855000    
 H    2.094300       3.313100     -0.8523000    
 H    1.840300       1.592300      -1.213600    
 H    3.244300       2.462400      -1.906600    
 H   -1.954300       3.915600     -0.3910000    


%chk=000178553-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178553

0 1
O 2.438405 -0.375211 -0.206334
O 3.709734 2.143434 -0.629841
N 6.654089 0.006035 -0.016904
N -2.802988 1.935885 0.255763
N -4.638004 2.345922 1.586095
N -2.706884 3.102795 0.960335
N -3.796863 3.387426 1.775265
C -2.513515 -1.065273 -0.222225
C -3.996940 -0.893702 -0.313753
C 0.305500 -1.501608 -0.038221
C 1.798206 -1.697196 0.053768
C -1.760296 -1.439899 -1.365077
C -1.836403 -0.931248 1.019292
C -4.697930 0.250762 0.183107
C -0.368842 -1.651691 -1.274266
C -0.447833 -1.145165 1.108495
C 3.837640 -0.313983 -0.160952
C -4.758538 -1.956740 -0.868155
C 4.433477 0.962172 -0.398457
C -6.119559 0.270067 0.165561
C 5.846623 1.076996 -0.301476
C 4.679753 -1.415037 0.118401
C 6.082686 -1.219551 0.179373
C -6.168031 -1.919767 -0.904533
C -4.027821 1.469550 0.669136
C -6.853937 -0.806264 -0.367972
C 6.514367 2.419608 -0.497638
C 7.019339 -2.376013 0.472495
C 2.655632 2.127284 -1.668276
H 2.101803 -2.043758 1.061273
H 2.161336 -2.421010 -0.702604
H -2.265868 -1.540693 -2.332064
H -2.406455 -0.671307 1.918100
H 0.199149 -1.926619 -2.171285
H 0.058688 -1.034486 2.074674
H -4.228175 -2.840125 -1.240172
H -6.632156 1.151118 0.564013
H 4.270552 -2.412799 0.300057
H -6.725569 -2.760135 -1.332029
H -7.948348 -0.771811 -0.374805
H 6.247635 3.118672 0.316668
H 7.606093 2.278585 -0.508846
H 6.186330 2.897073 -1.438074
H 8.057882 -2.010899 0.463825
H 6.812003 -2.824371 1.462609
H 6.920550 -3.180091 -0.280957
H 2.347674 3.179595 -1.768585
H 1.806301 1.496673 -1.361079
H 3.065272 1.764104 -2.630710
H -1.893565 3.714996 0.899683


