%chk=000177511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177511

0 1
 O    3.429500       2.755800      7.6800004E-02
 O    5.216000      0.6646000     -0.3035000    
 N  -0.6306000      -1.797400      0.7642000    
 C  -0.3222000     -0.3933000      0.4335000    
 C    1.158600     -0.1200000      0.2444000    
 C    2.066000      -1.176300      4.2800002E-02
 C    1.595600      -2.606800      8.4299996E-02
 C   8.5199997E-02  -2.731700     -0.1062000    
 C   -1.138200      5.6800000E-02 -0.7841000    
 C    1.635800       1.199800      0.2520000    
 C   -2.574300      0.3013000     -0.4205000    
 C    3.428600     -0.8985000     -0.1338000    
 C    2.992200       1.466100      6.5300003E-02
 C    3.887600      0.4178000     -0.1276000    
 C   -3.492000     -0.7392000     -0.5060000    
 C   -2.972100       1.565700     -2.0000001E-03
 C   -4.826200     -0.5119000     -0.1684000    
 C   -4.306200       1.792900      0.3359000    
 C   -5.233300      0.7541000      0.2527000    
 H  -0.6277000      0.1893000       1.313700    
 H    2.100500      -3.189700     -0.6952000    
 H    1.879600      -3.030500       1.056100    
 H  -0.1845000      -2.582300      -1.157500    
 H  -0.2178000      -3.754300      0.1461000    
 H   -1.075200     -0.6509000      -1.620000    
 H  -0.7347000      0.9902000      -1.200500    
 H   -1.630000      -1.976800      0.7291000    
 H   0.9389000       2.020800      0.4071000    
 H    4.129000      -1.719200     -0.2723000    
 H   -3.194700      -1.726400     -0.8482000    
 H   -2.258200       2.381700      6.9200002E-02
 H   -5.549000      -1.319700     -0.2370000    
 H   -4.623100       2.778600      0.6642000    
 H   -6.272200      0.9311000      0.5150000    
 H    2.671200       3.346900      0.2229000    
 H    5.682900     -0.1804000     -0.4210000    


%chk=000177511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177511

0 1
O 3.811735 2.660926 -0.127564
O 5.363444 0.473755 -0.535102
N -0.633353 -1.554059 0.915014
C -0.281096 -0.171240 0.540779
C 1.221308 -0.056363 0.275364
C 2.035696 -1.200735 0.081110
C 1.460916 -2.605476 0.204716
C -0.070262 -2.599018 0.037278
C -1.102085 0.380772 -0.703476
C 1.814439 1.229853 0.203715
C -2.594973 0.405062 -0.441959
C 3.415592 -1.020966 -0.192388
C 3.186855 1.404652 -0.059308
C 4.002175 0.257750 -0.267108
C -3.413542 -0.706079 -0.779388
C -3.203793 1.515182 0.202591
C -4.796741 -0.708996 -0.484722
C -4.584642 1.517359 0.499597
C -5.387233 0.402895 0.158130
H -0.540020 0.478157 1.401553
H 1.923709 -3.280826 -0.541207
H 1.699151 -3.008073 1.209009
H -0.319744 -2.456016 -1.044101
H -0.489921 -3.574038 0.343541
H -0.863175 -0.252550 -1.578422
H -0.733007 1.398092 -0.930635
H -1.640155 -1.661800 1.088339
H 1.191344 2.120200 0.372323
H 4.048294 -1.906842 -0.346841
H -2.965290 -1.563774 -1.297535
H -2.590638 2.387031 0.465070
H -5.412047 -1.573148 -0.760577
H -5.036555 2.385988 0.992203
H -6.459197 0.404723 0.385192
H 3.149848 3.378696 0.034110
H 5.827963 -0.392895 -0.647799


