%chk=000176709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176709

0 1
 O   -4.351100      0.2970000      -1.028500    
 O   -1.479900      0.2606000     -0.7667000    
 N   -2.595500      -1.586500      0.2383000    
 N   -2.847300      -2.251900       1.354300    
 N   -2.846500      -3.591200     -0.5002000    
 C   -3.604800       2.208400      0.3096000    
 C   -3.692800      0.6497000      0.1932000    
 C   -2.355600     -0.1307000      0.2975000    
 C   -3.029800       2.618500       1.678800    
 C   -2.749200       2.853400     -0.7955000    
 C   -5.031200       2.795000      0.1985000    
 C  -0.1242000      0.2271000     -0.5799000    
 C   -2.590600      -2.354200     -0.8580000    
 C   0.4287000     -0.7041000      0.2930000    
 C   0.6886000       1.125300      -1.263400    
 C   -2.994800      -3.479900      0.8527000    
 C    2.630600      0.1604000     -0.1981000    
 C    1.810000     -0.7375000      0.4844000    
 C    2.069900       1.091800      -1.071900    
 C    4.063000      0.1262000      7.9999998E-04
 C    4.646600      0.8969000       1.006500    
 C    4.860900     -0.6791000     -0.8121000    
 C    6.027700      0.8620000       1.199400    
 C    6.241900     -0.7138000     -0.6192000    
 C    6.825400      5.6699999E-02  0.3866000    
 H   -4.352600      0.2904000      0.9941000    
 H   -1.901000      7.6200001E-02   1.274900    
 H   -3.604700       2.172000       2.497700    
 H   -1.986600       2.305400       1.789600    
 H   -3.056100       3.706600       1.809000    
 H   -2.898200       3.940200     -0.8140000    
 H   -3.006200       2.479200      -1.790900    
 H   -1.681700       2.704000     -0.6255000    
 H   -5.469800       2.605100     -0.7873000    
 H   -5.028000       3.880600      0.3504000    
 H   -5.696200       2.359500      0.9528000    
 H   -3.716300      0.4173000      -1.754600    
 H   -2.410600      -2.006100      -1.865500    
 H  -0.1542000      -1.429800      0.8448000    
 H   0.2586000       1.849800      -1.948800    
 H   -3.217500      -4.320300       1.493200    
 H    2.231600      -1.470800       1.168000    
 H    2.695200       1.798500      -1.612700    
 H    4.039500       1.530000       1.649400    
 H    4.422400      -1.286500      -1.600400    
 H    6.482000       1.461900       1.982500    
 H    6.863200      -1.341000      -1.251900    
 H    7.900600      2.9600000E-02  0.5368000    


%chk=000176709-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176709

0 1
O -4.011210 0.447485 -1.553050
O -1.462388 0.228795 -0.801521
N -2.686242 -1.481378 0.407699
N -2.171151 -2.172328 1.520591
N -3.363866 -3.599692 0.130026
C -3.750396 2.255195 0.195437
C -3.724551 0.721882 -0.136185
C -2.431414 -0.040330 0.265212
C -3.424173 2.475329 1.698066
C -2.765622 3.070248 -0.682515
C -5.200254 2.739835 -0.083727
C -0.069395 0.150225 -0.530645
C -3.387996 -2.355102 -0.402609
C 0.488521 -0.456469 0.617567
C 0.762062 0.726557 -1.517280
C -2.615587 -3.436859 1.295408
C 2.756547 0.112024 -0.200495
C 1.891740 -0.463492 0.768175
C 2.158201 0.703820 -1.348789
C 4.237233 0.090438 -0.027894
C 4.826370 0.168222 1.264829
C 5.103182 -0.010602 -1.152378
C 6.227756 0.143915 1.428028
C 6.504786 -0.030983 -0.991282
C 7.075752 0.045355 0.300431
H -4.562556 0.253287 0.413258
H -2.042130 0.290606 1.241783
H -4.020034 1.805406 2.348156
H -2.353042 2.317914 1.924751
H -3.666489 3.515272 1.982997
H -2.829599 4.140368 -0.412004
H -3.022423 2.985575 -1.754706
H -1.719352 2.746271 -0.549013
H -5.505498 2.480739 -1.112288
H -5.269359 3.836223 0.039109
H -5.920111 2.273356 0.615841
H -3.170638 0.621451 -2.054237
H -3.886260 -2.041925 -1.315414
H -0.140624 -0.960160 1.358148
H 0.305671 1.195989 -2.394246
H -2.395433 -4.249591 1.982253
H 2.319454 -0.968038 1.641459
H 2.790795 1.182950 -2.103807
H 4.183841 0.278948 2.145851
H 4.675910 -0.107045 -2.157064
H 6.658304 0.212487 2.433418
H 7.151162 -0.118017 -1.871925
H 8.163909 0.027744 0.426276


