%chk=000122813.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122813

0 1
 O   -4.031400      0.9156000      0.9493000    
 O    1.089100       1.948300       2.110500    
 O   -2.253800      -2.938500     -0.9446000    
 O   -3.173900      -3.171300       1.166900    
 N  -0.1168000       2.052100     -0.8190000    
 N    2.679700      0.2299000       2.002200    
 C   0.4646000      0.7090000     -0.7052000    
 C    1.825800       1.021400     -7.1300000E-02
 C  -0.4768000     -0.2289000      4.8999999E-02
 C   -2.413500       1.156700     -0.9142000    
 C   -1.858900     -0.2708000     -0.6404000    
 C    2.216700       2.371200     -0.7048000    
 C   -1.345800       2.031200      -1.603800    
 C   0.9436000       2.875700      -1.394300    
 C    2.852100     -6.4900003E-02 -0.2525000    
 C   -2.980800       1.742900      0.4059000    
 C    1.780100       1.163000       1.478400    
 C   -2.841500      -1.035800      0.1938000    
 C    3.309100     -0.4890000      0.9937000    
 C    3.348100     -0.6447000      -1.407600    
 C   -3.590300       3.131600      0.2307000    
 C   -3.819400     -0.4356000      0.8808000    
 C    4.254700      -1.484300       1.144000    
 C   -2.788100      -2.498100      0.2230000    
 C    4.306900      -1.655400      -1.283800    
 C    4.755800      -2.071800     -1.8100001E-02
 C   -2.135400      -4.359500      -1.068900    
 H   0.6203000      0.2915000      -1.712200    
 H  -0.5944000      8.6700000E-02   1.092500    
 H  -4.3099999E-02  -1.236300      7.8699999E-02
 H   -3.256000       1.052200      -1.614600    
 H   -1.737400     -0.7420000      -1.624700    
 H    3.021200       2.276500      -1.443200    
 H    2.549600       3.092600      5.1100001E-02
 H   -1.155400       1.633200      -2.609900    
 H   -1.722200       3.049400      -1.745700    
 H   0.7792000       3.940800      -1.203200    
 H    1.031600       2.727300      -2.478000    
 H   -2.196100       1.814400       1.169500    
 H    2.862600      9.0400003E-02   2.988900    
 H    3.007400     -0.3294000      -2.387900    
 H   -2.835200       3.882400     -1.5799999E-02
 H   -4.354300       3.126200     -0.5545000    
 H   -4.090600       3.448100       1.153000    
 H   -4.581800     -0.9537000       1.447200    
 H    4.599400      -1.802300       2.121200    
 H    4.710800      -2.125900      -2.176400    
 H    5.501500      -2.859100      5.3399999E-02
 H   -1.697100      -4.579800      -2.045900    
 H   -3.122500      -4.828200      -1.012400    
 H   -1.475000      -4.753400     -0.2905000    


%chk=000122813-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122813

0 1
O -4.080641 1.047753 0.887138
O 1.095818 1.620614 2.389337
O -1.959193 -3.037249 -0.558977
O -3.836187 -3.184502 0.825035
N -0.127823 2.055193 -0.880337
N 2.640460 -0.118074 1.982276
C 0.444966 0.710087 -0.636597
C 1.838906 1.016014 0.042824
C -0.549523 -0.185110 0.115838
C -2.439595 1.182802 -0.989643
C -1.908962 -0.244701 -0.648266
C 2.137024 2.499297 -0.403440
C -1.343835 2.004038 -1.707155
C 0.997198 2.866779 -1.385646
C 2.895061 -0.022842 -0.307196
C -2.963350 1.879362 0.287363
C 1.772940 0.916741 1.597184
C -2.969821 -0.998276 0.138254
C 3.327764 -0.678636 0.878162
C 3.441068 -0.398994 -1.544241
C -3.576578 3.262424 0.083543
C -3.959617 -0.319169 0.807992
C 4.292979 -1.700785 0.861705
C -3.008481 -2.467148 0.200201
C 4.421015 -1.426489 -1.585659
C 4.837029 -2.067837 -0.395245
C -1.923559 -4.515089 -0.560286
H 0.681268 0.217421 -1.621135
H -0.706466 0.213787 1.133310
H -0.150777 -1.211398 0.208217
H -3.298083 1.080299 -1.685449
H -1.733182 -0.782757 -1.600736
H 3.137691 2.593471 -0.856315
H 2.081252 3.152515 0.483480
H -1.142301 1.525533 -2.703434
H -1.691056 3.033860 -1.907050
H 0.749391 3.942801 -1.371056
H 1.277028 2.586596 -2.435184
H -2.168230 1.920092 1.053976
H 2.773291 -0.382400 2.958517
H 3.121921 0.094012 -2.469973
H -2.788000 4.004175 -0.128847
H -4.304563 3.260509 -0.747644
H -4.099564 3.577043 1.002645
H -4.763886 -0.835799 1.341031
H 4.619495 -2.199376 1.780618
H 4.857367 -1.725868 -2.544423
H 5.592462 -2.860081 -0.441527
H -1.042082 -4.775972 -1.163792
H -2.846040 -4.922453 -1.008351
H -1.829600 -4.900612 0.469256


