%chk=000171576.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171576

0 1
 I    8.302200     -0.6350000     -7.8999996E-03
 O   -4.691300     -0.5140000     -5.9000002E-03
 O   -3.672900       1.555500     -4.0300000E-02
 C    1.443900      0.4119000      3.8400002E-02
 C    2.723000     -0.4261000     -2.2800000E-02
 C   0.1964000     -0.4702000     -4.4399999E-02
 C    3.969000      0.4608000      2.8000001E-02
 C   -1.082300      0.3731000     -1.6600000E-02
 C    5.280500     -0.3279000     -4.2300001E-02
 C   -2.347400     -0.4837000     -6.4000003E-02
 C    6.521900      0.5546000      8.9100003E-02
 C   -3.620500      0.3333000     -4.6300001E-02
 C   -5.974700      0.1174000      4.7600001E-02
 C   -7.047800     -0.9497000      8.7300003E-02
 H    1.438000       1.132400     -0.7885000    
 H    1.425900      0.9892000      0.9707000    
 H    2.733900      -1.016600     -0.9468000    
 H    2.741200      -1.134100      0.8145000    
 H   0.2222000      -1.062700     -0.9669000    
 H   0.1894000      -1.176300      0.7946000    
 H    3.953500       1.047100      0.9553000    
 H    3.940000       1.178700     -0.8010000    
 H   -1.096000      0.9895000      0.8912000    
 H   -1.080300       1.068800     -0.8651000    
 H    5.281500      -1.082300      0.7550000    
 H    5.312700     -0.8770000     -0.9920000    
 H   -2.347500      -1.087500     -0.9785000    
 H   -2.362500      -1.154600      0.8027000    
 H    6.498600       1.096200       1.041100    
 H    6.538000       1.300800     -0.7129000    
 H   -6.038200      0.7398000      0.9472000    
 H   -6.109900      0.7455000     -0.8399000    
 H   -6.985600      -1.591900     -0.7974000    
 H   -6.915000      -1.597500      0.9601000    
 H   -8.044200     -0.5010000      0.1287000    


%chk=000171576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171576

0 1
I 8.475301 -0.634658 -0.053676
O -4.767058 -0.533940 -0.020003
O -3.761983 1.541210 0.317937
C 1.465052 0.431744 0.019436
C 2.771100 -0.393765 0.002603
C 0.192176 -0.444455 0.030557
C 4.042331 0.487173 -0.006905
C -1.107613 0.389039 0.053253
C 5.343794 -0.358057 -0.022354
C -2.368686 -0.496062 0.059848
C 6.582544 0.541607 -0.030938
C -3.658532 0.306116 0.135395
C -6.107996 0.125115 0.057302
C -7.149450 -0.973395 -0.130072
H 1.441358 1.100515 -0.866012
H 1.460264 1.094429 0.909693
H 2.777083 -1.055197 -0.888435
H 2.795228 -1.061996 0.888245
H 0.195848 -1.105713 -0.861356
H 0.218144 -1.114788 0.915420
H 4.036951 1.147536 0.884700
H 4.019828 1.153498 -0.893814
H -1.118510 1.047379 0.942653
H -1.136065 1.063207 -0.824655
H 5.365842 -1.020125 0.864041
H 5.348963 -1.013836 -0.913671
H -2.412329 -1.140703 -0.838910
H -2.352472 -1.190883 0.923703
H 6.664923 1.164071 0.873592
H 6.647470 1.170930 -0.932151
H -6.192768 0.628032 1.037826
H -6.160429 0.899144 -0.729761
H -7.028335 -1.468447 -1.108744
H -7.061335 -1.738812 0.659837
H -8.164940 -0.539412 -0.082585


