%chk=000176490.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176490

0 1
 O    5.549400      0.9725000      -1.346100    
 O    6.238600      0.6303000      0.7856000    
 O   -4.261900       2.020100     -0.1299000    
 O   -5.308700      0.7941000       1.466900    
 N   -2.085300     -0.1792000     -0.4588000    
 N    4.321800      -1.113800       1.369900    
 N   -5.686500      -1.205200     -0.3770000    
 C    1.667300     -0.6819000     -5.2600000E-02
 C   0.3526000      5.0200000E-02 -0.3334000    
 C    2.906700      0.2163000     -0.1662000    
 C  -0.8430000     -0.8900000     -0.1804000    
 C    4.243700     -0.5066000      4.0500000E-02
 C   -3.233800      -1.061100     -0.3063000    
 C   -4.545600     -0.3113000     -0.5697000    
 C    5.441700      0.4067000     -0.1186000    
 C   -4.757200      0.8590000      0.3760000    
 H    1.622500      -1.115300      0.9538000    
 H    1.769700      -1.519000     -0.7544000    
 H   0.2519000      0.8965000      0.3576000    
 H   0.3777000      0.4634000      -1.349500    
 H    2.819700       1.042100      0.5528000    
 H    2.906100      0.6858000      -1.158400    
 H  -0.8586000      -1.285800      0.8423000    
 H  -0.7295000      -1.737300     -0.8677000    
 H    4.347800      -1.308900     -0.6992000    
 H   -2.063500      0.1996000      -1.405200    
 H   -3.248000      -1.464400      0.7149000    
 H   -3.153100      -1.908800     -0.9988000    
 H   -4.576500      5.9799999E-02  -1.601400    
 H    4.262600     -0.3919000       2.087000    
 H    5.223200      -1.573800       1.490700    
 H   -5.597300      -2.011800     -0.9939000    
 H   -6.545300     -0.7308000     -0.6543000    
 H    6.330100       1.562900      -1.410100    
 H   -4.401500       2.773900      0.4822000    


%chk=000176490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176490

0 1
O 5.814394 0.182091 -1.503355
O 5.989911 1.442679 0.441262
O -5.217924 1.738775 0.746248
O -3.748370 0.302517 1.826979
N -2.045641 -0.426364 -0.878520
N 4.154142 -0.402399 1.751651
N -5.767173 -0.882478 -0.513026
C 1.729501 -0.709222 -0.089492
C 0.401430 -0.103429 -0.593149
C 2.931004 0.228664 -0.326572
C -0.801732 -1.040830 -0.369618
C 4.247258 -0.334884 0.289460
C -3.298682 -1.156064 -0.629112
C -4.476178 -0.165322 -0.523597
C 5.427397 0.526555 -0.198295
C -4.387019 0.602382 0.800790
H 1.664225 -0.931765 0.992089
H 1.915989 -1.675345 -0.604141
H 0.196374 0.854702 -0.077304
H 0.487976 0.130784 -1.676769
H 2.727287 1.222350 0.122777
H 3.082479 0.385385 -1.412029
H -0.934204 -1.215189 0.715470
H -0.580427 -2.035380 -0.834672
H 4.398212 -1.355555 -0.108206
H -1.953107 -0.113533 -1.853623
H -3.210842 -1.693040 0.331220
H -3.543139 -1.917184 -1.411926
H -4.384699 0.583824 -1.344988
H 4.107716 0.525777 2.188353
H 4.878365 -0.980306 2.190474
H -5.827876 -1.652517 -1.183789
H -6.592551 -0.278451 -0.504794
H 6.553468 0.780249 -1.800748
H -5.199764 2.198824 1.629252


