%chk=000178895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178895

0 1
 O   -3.212800       1.780100       1.118500    
 O   -2.786800      -3.843400     -9.3300000E-02
 O   -4.621800      0.3149000      0.1244000    
 O   -4.389700      -2.314100      0.3679000    
 O    5.562200      -1.004100      0.9061000    
 O    3.922200      -1.088400       2.363000    
 N  -0.2518000     -0.7748000     -0.3493000    
 N  -0.9241000      -1.937800     -0.3117000    
 N    4.338300      -1.000400       1.182500    
 C   -1.025500      0.3224000     -9.4599999E-02
 C   -2.294500     -0.1631000      0.1243000    
 C    1.115400     -0.7811000     -0.6314000    
 C  -0.5298000       1.677200     -7.8500003E-02
 C   -2.171400      -1.557800     -2.1900000E-02
 C    2.028900     -0.8868000      0.4089000    
 C    1.542500     -0.6817000      -1.948700    
 C  -4.7300000E-02   2.230000       1.107700    
 C  -0.5341000       2.434600      -1.249700    
 C    3.394900     -0.8931000      0.1265000    
 C   -3.457700      0.6171000      0.4313000    
 C    2.908400     -0.6880000      -2.231200    
 C    3.834500     -0.7938000      -1.193500    
 C   0.4309000       3.540300       1.122700    
 C  -5.6000002E-02   3.744800      -1.234900    
 C   -3.201600      -2.550500      0.1035000    
 C   0.4265000       4.297700     -4.8500001E-02
 H    1.662300     -0.9632000       1.430300    
 H   0.8307000     -0.5987000      -2.766100    
 H  -3.6699999E-02   1.652800       2.029300    
 H  -0.9071000       2.018500      -2.182600    
 H    3.250200     -0.6104000      -3.259100    
 H    4.890600     -0.7953000      -1.451200    
 H   0.8068000       3.970700       2.046400    
 H  -5.9200000E-02   4.334600      -2.146800    
 H   0.7989000       5.317800     -3.6899999E-02
 H   -4.040900       2.273600       1.300300    
 H   -3.527500      -4.479300      3.8000001E-03


%chk=000178895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178895

0 1
O -3.370092 1.369300 1.721648
O -3.303719 -3.514587 -1.174502
O -4.646404 0.512008 -0.019740
O -4.360586 -2.498171 0.633176
O 5.690275 0.232227 0.136440
O 4.035639 1.146033 1.412377
N -0.288002 -0.776850 -0.465229
N -1.069883 -1.914107 -0.667476
N 4.449306 0.387642 0.453809
C -1.019370 0.298233 0.069993
C -2.334325 -0.191070 0.226558
C 1.114301 -0.888551 -0.759312
C -0.461375 1.662120 0.219670
C -2.312180 -1.546576 -0.250747
C 2.074816 -0.184293 -0.003187
C 1.514513 -1.767496 -1.796900
C -0.512342 2.339872 1.465202
C 0.134645 2.306398 -0.899998
C 3.432450 -0.355332 -0.338283
C -3.556169 0.560952 0.589997
C 2.884180 -1.921645 -2.095738
C 3.864757 -1.209657 -1.374241
C 0.038435 3.633641 1.590802
C 0.676763 3.601621 -0.770729
C -3.423544 -2.527133 -0.195270
C 0.635597 4.267199 0.477124
H 1.808231 0.470691 0.828209
H 0.748464 -2.326000 -2.340549
H -0.982599 1.851693 2.322722
H 0.158217 1.798980 -1.871069
H 3.186219 -2.600833 -2.898588
H 4.931985 -1.304658 -1.588230
H 0.004283 4.143789 2.559161
H 1.127741 4.090949 -1.640477
H 1.065223 5.269568 0.579115
H -4.214970 1.867526 1.897002
H -4.052578 -4.162182 -1.065240


