%chk=000158526.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158526

0 1
 O   -4.045200      -1.684600      0.1870000    
 O   -1.810000       2.474300      -1.177100    
 O   -4.079600      0.9219000     -0.7754000    
 N   0.7255000      -1.247800      0.3860000    
 C    1.821700     -0.4021000      0.1572000    
 C    2.280800      0.4339000       1.174500    
 C    2.450500     -0.3978000      -1.087500    
 C    1.625400      0.4472000       2.517000    
 C    1.978800      -1.285000      -2.193200    
 C    3.369800       1.275300      0.9468000    
 C    3.539500      0.4436000      -1.315000    
 C    3.999100       1.280100     -0.2978000    
 C  -0.4357000     -0.7437000      0.1131000    
 C    2.248500     -0.5638000       3.474600    
 C    2.672800      -2.643400      -2.180400    
 C   -1.695800      -1.499900      0.2966000    
 C  -0.5474000      0.6373000     -0.4044000    
 C   -2.883700     -0.9620000      8.6000003E-03
 C   -1.730500       1.184200     -0.6952000    
 C   -2.990400      0.4235000     -0.5101000    
 C   -4.561500      -1.491600       1.489500    
 C   -1.932400       3.400300     -0.1149000    
 H    1.714200       1.449700       2.955900    
 H   0.5471000      0.2708000       2.448600    
 H   0.8937000      -1.427700      -2.169800    
 H    2.173200     -0.7989000      -3.158400    
 H    3.740600       1.930900       1.730500    
 H    4.041500      0.4565000      -2.278900    
 H    4.847700       1.934400     -0.4747000    
 H    2.144600      -1.585900       3.095300    
 H    1.756100     -0.5123000       4.450800    
 H    3.315600     -0.3660000       3.622000    
 H    3.758300      -2.536000      -2.278400    
 H    2.316200      -3.257400      -3.013500    
 H    2.470500      -3.183700      -1.249400    
 H   -1.614400      -2.513800      0.6748000    
 H   0.3173000       1.266300     -0.5738000    
 H   -3.867100      -1.861900       2.252000    
 H   -5.490700      -2.062800       1.575800    
 H   -4.795800     -0.4376000       1.675500    
 H   -1.048400       3.383100      0.5324000    
 H   -2.835000       3.213200      0.4775000    
 H   -2.014200       4.403200     -0.5448000    


%chk=000158526-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158526

0 1
O -3.650211 -1.797071 0.909492
O -1.992604 2.491515 -1.147138
O -4.164653 0.618123 -0.631621
N 0.977763 -0.788864 0.798491
C 2.175707 -0.138424 0.405056
C 3.042473 0.325389 1.451411
C 2.587112 -0.067540 -0.971097
C 2.642365 0.185015 2.913500
C 1.786564 -0.720678 -2.092253
C 4.275469 0.917962 1.100518
C 3.846471 0.509198 -1.265063
C 4.683952 1.015350 -0.248647
C -0.243187 -0.364841 0.459458
C 2.865144 -1.257346 3.445138
C 1.920750 -2.267446 -2.077049
C -1.362638 -1.210039 0.863317
C -0.530484 0.900913 -0.210720
C -2.666254 -0.877267 0.564730
C -1.826393 1.276146 -0.500134
C -2.984569 0.361822 -0.212279
C -5.040951 -1.370394 1.190447
C -3.290477 3.204777 -1.194700
H 3.233666 0.895542 3.521971
H 1.578086 0.451880 3.050367
H 0.715889 -0.455578 -2.038008
H 2.153169 -0.334242 -3.061736
H 4.921912 1.303004 1.898556
H 4.169622 0.554690 -2.312310
H 5.645845 1.473353 -0.503506
H 2.260009 -1.974341 2.864675
H 2.570217 -1.331189 4.508264
H 3.927827 -1.548122 3.360564
H 2.977674 -2.571893 -2.182850
H 1.344766 -2.718411 -2.905780
H 1.541703 -2.684154 -1.126532
H -1.137758 -2.137084 1.396744
H 0.292389 1.578973 -0.456352
H -5.057011 -0.528197 1.906159
H -5.503120 -2.259997 1.644834
H -5.558192 -1.078555 0.265286
H -3.758460 3.250358 -0.196281
H -3.980456 2.716743 -1.898328
H -3.017926 4.214919 -1.537293


