%chk=000170721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170721

0 1
 O  -0.8307000       1.766100      0.6852000    
 O  -0.4907000       3.946500      1.9000000E-03
 N    3.142200     -0.1142000      -1.056800    
 C   2.3100000E-02 -0.3391000     -0.3658000    
 C   0.8142000     -0.7556000      -1.677300    
 C  -0.3015000       1.220000     -0.5287000    
 C    2.087900      4.1800000E-02  -2.061300    
 C   0.9865000     -0.5911000      0.8368000    
 C   -1.343100      -1.071600     -0.2004000    
 C   -1.242700       1.603400      -1.692800    
 C    2.633400     -0.4439000      -3.407800    
 C    1.345800      -1.878800       1.093800    
 C   -2.101700     -0.7522000      0.8854000    
 C    1.402200      0.4939000       1.546100    
 C   -1.689000      -1.982700      -1.152500    
 C   -2.604100      0.9240000      -1.574400    
 C    2.206700      -2.104000       2.168000    
 C   -3.324200      -1.407300       1.033400    
 C    2.263200      0.2686000       2.620100    
 C   -2.911600      -2.637600      -1.004400    
 C    4.309700      0.6760000      -1.411800    
 C   -1.085100       3.104900      0.6618000    
 C    2.665500      -1.030400       2.931000    
 C   -3.729200      -2.350000      8.8500001E-02
 C   -2.226900       3.413000       1.582300    
 H   0.1421000     -0.6633000      -2.540400    
 H    1.083300      -1.820900      -1.633900    
 H   0.6352000       1.759000     -0.7082000    
 H    1.833800       1.098400      -2.186400    
 H  -0.7928000       1.329700      -2.653200    
 H   -1.408400       2.682100      -1.759700    
 H    3.395200      0.2255000      -3.819900    
 H    1.829100     -0.4802000      -4.151900    
 H    3.054800      -1.453400      -3.338000    
 H   0.9917000      -2.722700      0.5128000    
 H   -1.795400     -7.1699999E-02   1.668900    
 H    1.224400       1.535300       1.337000    
 H   -1.091700      -2.260000      -2.009800    
 H    3.406400      -1.094800     -0.9684000    
 H   -3.052200      0.9674000     -0.5838000    
 H   -3.294700       1.533100      -2.178300    
 H   -2.665700     -3.2200001E-02  -2.083000    
 H    2.519700      -3.115400       2.410200    
 H   -3.955000      -1.193300       1.891300    
 H    2.637600       1.105200       3.203100    
 H   -3.226000      -3.375000      -1.737400    
 H    4.977100      0.7177000     -0.5443000    
 H    4.889800      0.2348000      -2.227800    
 H    4.050000       1.710500      -1.660100    
 H    3.339600      -1.205300       3.764400    
 H   -4.679400      -2.862700      0.2057000    
 H   -1.975600       3.104700       2.600300    
 H   -3.129600       2.902900       1.237400    
 H   -2.412600       4.490800       1.581300    


%chk=000170721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170721

0 1
O -1.068972 1.720449 0.469634
O 0.060149 3.758007 0.285751
N 2.911313 0.477133 -1.195234
C -0.011935 -0.338186 -0.471019
C 0.828446 -0.846054 -1.705851
C -0.324028 1.178184 -0.719785
C 2.001411 0.014889 -2.258192
C 0.836151 -0.545807 0.825248
C -1.311426 -1.188918 -0.315288
C -1.126102 1.569385 -1.987542
C 2.697112 -0.785145 -3.400275
C 1.005242 -1.870606 1.310001
C -2.128626 -0.987598 0.832426
C 1.483054 0.500502 1.531465
C -1.717004 -2.188120 -1.237570
C -2.647860 1.299685 -1.978165
C 1.787351 -2.146324 2.453138
C -3.314385 -1.723076 1.029676
C 2.254977 0.232377 2.684436
C -2.903988 -2.934203 -1.040927
C 3.982420 1.408283 -1.579142
C -0.784356 3.029797 0.858886
C 2.414245 -1.091373 3.154081
C -3.715415 -2.701570 0.089492
C -1.612244 3.410391 2.068049
H 0.147906 -0.990311 -2.564940
H 1.219151 -1.851303 -1.448872
H 0.648376 1.703606 -0.753770
H 1.578365 0.933349 -2.718563
H -0.667871 1.072255 -2.863543
H -0.960269 2.654819 -2.132336
H 3.512060 -0.195293 -3.856940
H 1.980334 -1.044455 -4.202642
H 3.129661 -1.725902 -3.008540
H 0.502277 -2.698970 0.796628
H -1.824714 -0.242295 1.571484
H 1.426924 1.531042 1.173285
H -1.117516 -2.408784 -2.125125
H 3.217960 -0.272624 -0.565331
H -3.121328 1.743704 -1.085507
H -3.110532 1.756252 -2.872863
H -2.885404 0.224119 -1.980886
H 1.896683 -3.180546 2.799320
H -3.923925 -1.537552 1.921701
H 2.740317 1.062790 3.210488
H -3.188056 -3.698578 -1.773694
H 4.504169 1.757545 -0.670059
H 4.751419 0.994365 -2.274443
H 3.538052 2.297285 -2.066327
H 3.015086 -1.296152 4.047464
H -4.635269 -3.277404 0.241847
H -1.234511 2.873452 2.957312
H -2.665198 3.115883 1.925806
H -1.539075 4.493500 2.243948


