%chk=000178971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178971

0 1
 O   -2.497900      -2.317300     -0.5166000    
 O   -2.139700       2.468300     -0.5619000    
 O    5.573300     -0.4211000     -0.3220000    
 O  -0.6285000     -4.5100000E-02  -2.178000    
 O   -1.843600      -2.308800       1.731100    
 O   -1.493800       2.407500       1.687300    
 N   5.0700001E-02 -9.6100003E-02  6.7299999E-02
 C   -2.284400      7.2800003E-02 -0.5485000    
 C    1.461300     -0.1788000     -3.2699998E-02
 C   -3.040700      -1.080100     -0.3376000    
 C   -2.860400       1.329100     -0.3600000    
 C  -0.8912000     -3.5500001E-02 -0.9667000    
 C   -4.373200     -0.9767000      6.1400000E-02
 C   -4.192900       1.432600      3.9299998E-02
 C    2.218500     -0.2297000       1.125100    
 C    2.050600     -0.2075000      -1.284800    
 C    4.218100     -0.3418000     -0.2262000    
 C   -4.949300      0.2797000      0.2500000    
 C    3.607600     -0.3118000       1.027600    
 C    3.439600     -0.2895000      -1.382400    
 C    6.334500      0.1645000      0.7333000    
 C    7.663300      0.6342000      0.1809000    
 C   -1.903400      -2.853400      0.6367000    
 C   -1.470400       2.931700      0.5816000    
 C   -1.338100      -4.210300      0.3379000    
 C  -0.7099000       4.183300      0.2577000    
 H  -0.3117000     -7.5199999E-02   1.018600    
 H   -4.969100      -1.870200      0.2267000    
 H   -4.649000       2.407800      0.1872000    
 H    1.751500     -0.2130000       2.106000    
 H    1.519100     -0.1710000      -2.223700    
 H   -5.986900      0.3602000      0.5605000    
 H    4.174600     -0.3781000       1.951500    
 H    3.911100     -0.3122000      -2.361300    
 H    6.502000     -0.5846000       1.514900    
 H    5.830100       1.038700       1.164000    
 H    7.511700       1.374200     -0.6120000    
 H    8.212400     -0.2016000     -0.2653000    
 H    8.278700       1.080400      0.9671000    
 H  -0.5648000      -4.125900     -0.4297000    
 H  -0.8877000      -4.623300       1.244800    
 H   -2.137300      -4.879000      8.8999998E-03
 H   3.4200002E-02   3.972300     -0.5143000    
 H  -0.1929000       4.536100       1.154500    
 H   -1.402200       4.960200     -7.5599998E-02


%chk=000178971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178971

0 1
O -2.613466 -2.425698 -0.390948
O -2.378041 2.500817 -0.379330
O 5.623253 0.010735 -0.380652
O -0.776556 -0.184638 -2.130193
O -1.322492 -2.275472 1.564939
O -1.231169 2.309809 1.659549
N -0.020997 0.067286 0.088504
C -2.419953 0.033085 -0.356737
C 1.396297 0.046429 -0.057453
C -3.199268 -1.136775 -0.188429
C -3.084625 1.269064 -0.178632
C -0.992082 -0.038503 -0.887319
C -4.573030 -1.090860 0.110771
C -4.457201 1.353346 0.119465
C 2.176795 0.152063 1.120792
C 2.049086 -0.070006 -1.317361
C 4.231292 0.029525 -0.196201
C -5.204249 0.163650 0.254434
C 3.585377 0.143766 1.060977
C 3.453418 -0.077361 -1.375775
C 6.475531 0.118679 0.818520
C 7.923801 0.075064 0.338067
C -1.648743 -2.905674 0.542601
C -1.452735 2.939657 0.607614
C -1.123650 -4.239199 0.073789
C -0.813074 4.229147 0.158689
H -0.374581 0.157320 1.047924
H -5.126478 -2.027328 0.222736
H -4.920219 2.337297 0.235430
H 1.680683 0.240653 2.094969
H 1.450798 -0.154641 -2.226299
H -6.274216 0.213678 0.478784
H 4.156929 0.224457 1.989856
H 3.970439 -0.166118 -2.336210
H 6.254114 -0.723991 1.506288
H 6.255346 1.070401 1.345641
H 8.130098 0.910622 -0.352300
H 8.129188 -0.870819 -0.191508
H 8.612427 0.152313 1.199178
H -0.516283 -4.091256 -0.837034
H -0.501136 -4.692258 0.858476
H -1.956290 -4.910671 -0.193067
H -0.139098 4.023280 -0.692142
H -0.232859 4.664762 0.984667
H -1.578485 4.940363 -0.192469


