%chk=000176017.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176017

0 1
 O   -3.053800      0.1397000     -5.7000001E-03
 O    1.725600     -0.3139000     -1.0900000E-02
 O   -7.784800      0.9542000     -1.6000000E-03
 O    2.949900      -2.263200      7.4000000E-03
 C  -0.6563000     -8.6199999E-02 -2.5200000E-02
 C   -1.994600     -0.8081000     -1.2600000E-02
 C   -5.426500      0.5499000      1.3300000E-02
 C   -4.324100     -0.4974000      6.2000002E-03
 C   0.5139000      -1.055900     -1.3100000E-02
 C   -6.809900     -7.9400003E-02  6.2000002E-03
 C    2.875100      -1.044300     -3.0000001E-04
 C    4.064300     -0.1554000      2.3000001E-03
 C    5.346100     -0.7054000      1.4000000E-02
 C    3.899900       1.229800     -7.6000001E-03
 C   -9.104700      0.4270000      1.0600000E-02
 C    6.463500      0.1295000      1.6100001E-02
 C    5.017300       2.064700     -5.5000000E-03
 C    6.299100       1.514500      6.3000000E-03
 H  -0.5895000      0.5935000      0.8340000    
 H  -0.5922000      0.5703000     -0.9023000    
 H   -2.067300      -1.440400      0.8802000    
 H   -2.081400      -1.445300     -0.9007000    
 H   -5.313300       1.217900     -0.8502000    
 H   -5.315300       1.205600      0.8864000    
 H   -4.420300      -1.132200     -0.8826000    
 H   -4.406600      -1.129600      0.8983000    
 H   0.4707000      -1.685000      0.8838000    
 H   0.4795000      -1.696500     -0.9021000    
 H   -6.934700     -0.7055000     -0.8851000    
 H   -6.943100     -0.7034000      0.8978000    
 H    5.495800      -1.781800      2.1700000E-02
 H    2.921100       1.700800     -1.7000001E-02
 H   -9.809300       1.262900      1.3000000E-03
 H   -9.274100     -0.1621000      0.9171000    
 H   -9.280600     -0.1878000     -0.8774000    
 H    7.461700     -0.2986000      2.5300000E-02
 H    4.890100       3.143300     -1.3100000E-02
 H    7.169000       2.164700      7.8999996E-03


%chk=000176017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176017

0 1
O -3.084222 -0.046489 0.001604
O 1.740288 -0.313760 -0.001507
O -7.776633 1.087481 0.012675
O 3.045246 -2.244238 0.013787
C -0.680407 -0.242991 -0.001527
C -1.997939 -1.029427 -0.003134
C -5.447946 0.455573 0.009410
C -4.411624 -0.673178 -0.003561
C 0.528895 -1.179340 0.000512
C -6.885471 -0.075910 0.001260
C 2.966445 -0.989593 0.005339
C 4.126204 -0.052208 0.001363
C 5.431663 -0.609448 0.010159
C 3.956941 1.357045 -0.011177
C -9.185984 0.704270 0.008079
C 6.559466 0.236161 0.006498
C 5.089066 2.198947 -0.014961
C 6.390157 1.641617 -0.006137
H -0.652180 0.410489 0.888599
H -0.649564 0.410349 -0.891659
H -2.070844 -1.685136 0.895241
H -2.072358 -1.678699 -0.906024
H -5.294021 1.103143 -0.872105
H -5.295665 1.081523 0.906635
H -4.526056 -1.310174 -0.911100
H -4.524157 -1.329233 0.890568
H 0.561476 -1.827120 0.896707
H 0.561659 -1.831051 -0.892863
H -7.076731 -0.693556 -0.907295
H -7.079830 -0.713548 0.895223
H 5.535721 -1.699525 0.019685
H 2.945791 1.773162 -0.017842
H -9.762455 1.642616 0.017796
H -9.449220 0.101761 0.904482
H -9.448644 0.120903 -0.901065
H 7.566308 -0.194946 0.013365
H 4.959730 3.286605 -0.024737
H 7.267096 2.298824 -0.009092


