%chk=000158395.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158395

0 1
 O   -3.283600      -2.230800     -7.9000004E-02
 O   -2.728500       2.363200      1.5400000E-02
 O    3.614700      -1.816400      0.4377000    
 O    5.163400      0.6937000      -1.599500    
 O    7.233000      0.5941000     -0.6748000    
 N   -2.509100      5.2999998E-03  1.0300000E-02
 N    3.878200      0.4761000      0.6645000    
 C   -4.761300     -0.3904000     -0.2095000    
 C   -4.604300      0.9341000     -0.1476000    
 C   -1.092700     -0.1684000      0.1333000    
 C   -3.427200      -1.018400     -0.1000000    
 C   -3.160000       1.221400     -1.5000000E-02
 C  -0.4674000      -1.275300     -0.4467000    
 C  -0.3291000      0.7685000      0.8342000    
 C   -5.992600      -1.207300     -0.3478000    
 C   -5.608800       2.025300     -0.2039000    
 C    1.670800     -0.5066000      0.3742000    
 C   0.9120000      -1.444100     -0.3264000    
 C    1.050300      0.5997000      0.9545000    
 C    3.109000     -0.6817000      0.4990000    
 C    5.318800      0.4688000      0.7793000    
 C    6.014200      0.5894000     -0.5522000    
 H   -1.021600      -2.009000      -1.024000    
 H  -0.7829000       1.622100       1.328600    
 H   -6.894500     -0.5928000     -0.4122000    
 H   -6.106100      -1.874300      0.5129000    
 H   -5.942900      -1.819900      -1.253700    
 H   -5.568600       2.626700      0.7099000    
 H   -6.629200       1.646500     -0.3069000    
 H   -5.410600       2.682000      -1.057200    
 H    1.378100      -2.307000     -0.7951000    
 H    1.597800       1.333000       1.539300    
 H    3.436400       1.388600      0.6291000    
 H    5.637000     -0.4631000       1.255500    
 H    5.598800       1.325200       1.398900    
 H    5.639900      0.7714000      -2.453400    


%chk=000158395-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158395

0 1
O -3.386309 -2.189069 0.676379
O -2.658977 2.243886 -0.764762
O 3.581364 -2.164038 0.226622
O 5.450263 2.290645 -0.040065
O 7.506082 1.214024 0.125233
N -2.568005 -0.041543 -0.027243
N 4.005443 0.104832 0.117903
C -4.919689 -0.349287 0.080071
C -4.708526 0.937001 -0.336188
C -1.149768 -0.254182 0.030847
C -3.581132 -1.012241 0.289432
C -3.222039 1.177957 -0.416295
C -0.611502 -1.554309 -0.160023
C -0.277736 0.836590 0.284841
C -6.187429 -1.105800 0.330438
C -5.672974 2.026257 -0.691053
C 1.663495 -0.666274 0.130020
C 0.779240 -1.749162 -0.100426
C 1.113342 0.626494 0.326821
C 3.136066 -0.971387 0.165089
C 5.446932 -0.126902 0.163789
C 6.262461 1.149272 0.087288
H -1.275110 -2.402606 -0.335512
H -0.683054 1.838442 0.435396
H -7.078664 -0.476268 0.177949
H -6.205228 -1.504873 1.361281
H -6.256424 -1.983713 -0.338803
H -5.503156 2.918248 -0.060041
H -6.719664 1.703145 -0.573182
H -5.520515 2.356417 -1.735429
H 1.212262 -2.745629 -0.233204
H 1.753323 1.488729 0.548539
H 3.686013 1.065852 -0.006556
H 5.769877 -0.791447 -0.662564
H 5.732385 -0.664339 1.089314
H 6.018754 3.104878 -0.094208


