%chk=000172866.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172866

0 1
 I    2.478700      -3.714700      0.4580000    
 O   -5.258500      0.9999000     -6.4300001E-02
 O    5.673800      0.7222000     -0.5581000    
 C   -2.811400      0.6185000     -6.0600001E-02
 C   -2.028500     -0.6861000      0.2025000    
 C  -0.5603000     -0.5759000     -0.2237000    
 C   -4.211700      0.1675000      0.3963000    
 C   -2.188300       1.734600      0.7872000    
 C   -2.916100      -1.759000     -0.4279000    
 C   0.1030000      0.5655000      0.6066000    
 C   -4.349400      -1.255900     -0.1763000    
 C  -0.6849000       1.894500      0.4976000    
 C   -2.848200       1.063800      -1.545500    
 C   0.2144000      -1.856200     -2.6900001E-02
 C    1.590000      0.6347000      0.2725000    
 C    2.292200     -0.5816000      6.3400000E-02
 C    1.552300      -1.872300      0.1324000    
 C    2.289500       1.851600      0.2226000    
 C    3.667200     -0.5259000     -0.2210000    
 C    3.654900       1.880300     -5.5000000E-02
 C    4.341400      0.6946000     -0.2800000    
 H   -2.034700     -0.8862000       1.287700    
 H  -0.5080000     -0.3462000      -1.295700    
 H   -4.271300      0.1298000       1.490800    
 H   -2.313700       1.508600       1.854200    
 H   -2.701400       2.687800      0.6122000    
 H   -2.759400      -2.743100      2.5200000E-02
 H   -2.727700      -1.854800      -1.503000    
 H   6.2899999E-02  0.2818000       1.670900    
 H   -4.937600      -1.286200      -1.100300    
 H   -4.864600      -1.899600      0.5458000    
 H  -0.5434000       2.334100     -0.4970000    
 H  -0.2861000       2.622900       1.214600    
 H   -1.851400       1.245600      -1.956000    
 H   -3.326200      0.3235000      -2.194700    
 H   -3.407600       2.000200      -1.654700    
 H  -0.3467000      -2.786700     -2.5800001E-02
 H   -5.355700      0.8830000      -1.023800    
 H    1.789400       2.798900      0.3990000    
 H    4.241000      -1.427800     -0.4163000    
 H    4.169300       2.836800     -9.2100002E-02
 H    5.976900       1.646400     -0.5594000    


%chk=000172866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172866

0 1
I 2.619649 -3.719209 0.409237
O -5.357587 1.057455 0.035642
O 5.782123 0.668435 -0.477580
C -2.828697 0.626681 -0.062085
C -2.042111 -0.699720 0.174828
C -0.562672 -0.580824 -0.237424
C -4.250633 0.164148 0.393222
C -2.186770 1.737369 0.800400
C -2.939257 -1.797200 -0.455484
C 0.103387 0.562417 0.591369
C -4.394717 -1.288163 -0.179574
C -0.674843 1.900183 0.485587
C -2.887494 1.059027 -1.550736
C 0.219173 -1.871585 -0.025685
C 1.593306 0.651987 0.253569
C 2.337479 -0.569591 0.081870
C 1.570653 -1.835404 0.128314
C 2.290396 1.874045 0.163502
C 3.728825 -0.522691 -0.154434
C 3.682032 1.925422 -0.082748
C 4.396911 0.717239 -0.236569
H -2.048555 -0.868900 1.276621
H -0.505090 -0.325153 -1.320368
H -4.288816 0.153425 1.498115
H -2.308088 1.474375 1.872374
H -2.708928 2.701363 0.647463
H -2.760782 -2.792577 -0.011935
H -2.745858 -1.885915 -1.541429
H 0.033654 0.229578 1.654979
H -4.995556 -1.266539 -1.109809
H -4.936113 -1.937187 0.529642
H -0.541386 2.328872 -0.527525
H -0.244200 2.633476 1.194678
H -1.888527 1.270893 -1.965982
H -3.349753 0.288310 -2.195450
H -3.481000 1.987499 -1.643904
H -0.326894 -2.820361 -0.031228
H -5.515999 0.990375 -0.940318
H 1.748303 2.815701 0.289717
H 4.308368 -1.441307 -0.281573
H 4.195572 2.893160 -0.149364
H 6.164596 1.579790 -0.518527


