%chk=000161199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161199

0 1
 O   -3.176300     -0.2034000       2.594900    
 O   -4.204100       2.296400     -0.5958000    
 O   -2.370300       1.585700      -1.719900    
 N    3.262600       1.759800      0.4693000    
 C    3.347200       1.191100     -0.8824000    
 C    3.396600      0.5822000       1.336900    
 C    1.757200     -0.6919000     -0.1703000    
 C    2.044100      0.4313000      -1.192400    
 C    2.099500     -0.2450000       1.269100    
 C    4.562500      0.2729000     -0.7615000    
 C    4.596600     -0.1303000      0.7146000    
 C   0.3367000      -1.146200     -0.2629000    
 C  -0.6978000     -0.2517000      5.1000002E-03
 C   5.0299998E-02  -2.463000     -0.6178000    
 C   -2.023900     -0.6758000     -8.2300000E-02
 C   -1.275600      -2.887100     -0.7052000    
 C   -3.133200      0.2796000      0.2029000    
 C   -2.312700      -1.993400     -0.4376000    
 C   -3.089400      0.8499000       1.640000    
 C   -3.170000       1.439000     -0.8048000    
 H    3.506500       1.971400      -1.633600    
 H    3.595100      0.8719000       2.373900    
 H    2.418100      -1.534200     -0.4165000    
 H    2.100200     -2.7999999E-03  -2.199300    
 H    1.229200       1.165500      -1.225700    
 H    1.294700      0.3594000       1.706500    
 H    2.192900      -1.131800       1.909600    
 H    5.482000      0.8173000      -1.009000    
 H    4.504300     -0.5975000      -1.422900    
 H    4.558700      -1.216800      0.8437000    
 H    5.531200      0.2254000       1.165400    
 H    4.063200       2.375100      0.6203000    
 H  -0.4785000      0.7766000      0.2803000    
 H   0.8465000      -3.171600     -0.8297000    
 H   -1.500500      -3.913000     -0.9817000    
 H   -4.087200     -0.2527000      8.2900003E-02
 H   -3.339800      -2.340800     -0.5104000    
 H   -3.938300       1.517800       1.818800    
 H   -2.178800       1.426900       1.834800    
 H   -2.351300     -0.7152000       2.547900    
 H   -4.213700       3.024000      -1.253700    


%chk=000161199-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161199

0 1
O -3.512997 -0.511768 2.572880
O -4.103120 1.669106 -1.590119
O -2.359086 2.576024 -0.356693
N 3.455480 1.806169 0.449112
C 3.471588 1.222115 -0.932373
C 3.571313 0.574590 1.297181
C 1.781439 -0.550365 -0.162298
C 2.075594 0.597563 -1.177164
C 2.184593 -0.114943 1.282035
C 4.612435 0.141308 -0.903763
C 4.677711 -0.297779 0.600220
C 0.336173 -1.039009 -0.226563
C -0.745969 -0.150467 0.000502
C 0.045835 -2.400114 -0.501661
C -2.088694 -0.599824 -0.053745
C -1.288154 -2.861599 -0.551307
C -3.258214 0.348121 0.247288
C -2.356725 -1.965134 -0.328391
C -3.307638 0.691146 1.772275
C -3.157538 1.631936 -0.557342
H 3.660272 2.015792 -1.676213
H 3.840476 0.850854 2.331656
H 2.428136 -1.408233 -0.438985
H 2.002912 0.205671 -2.210264
H 1.324637 1.401333 -1.069664
H 1.444963 0.606728 1.675198
H 2.183115 -0.998053 1.950295
H 5.569787 0.589261 -1.227356
H 4.401114 -0.706142 -1.581451
H 4.497345 -1.380656 0.730835
H 5.669107 -0.075246 1.035356
H 4.268140 2.428550 0.593453
H -0.546101 0.907998 0.208454
H 0.871970 -3.099999 -0.678803
H -1.496477 -3.915737 -0.765774
H -4.203220 -0.151973 -0.022445
H -3.393689 -2.317275 -0.375358
H -4.175830 1.332886 1.994610
H -2.380680 1.227647 2.058201
H -2.769697 -1.143648 2.390694
H -3.995805 2.518167 -2.101013


