%chk=000158881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158881

0 1
 O  -0.1021000     -0.1273000       1.415200    
 O   -4.936000      0.5866000       1.002900    
 N   -2.150100      0.6514000      0.3450000    
 C   0.6413000     -7.4100003E-02  0.1530000    
 C  -0.3080000     -0.2317000     -0.9899000    
 C   -1.656400      0.1324000     -0.8525000    
 C    1.374500       1.306300      0.2259000    
 C    1.677600      -1.237700      0.3016000    
 C   -2.702300     -0.2236000       1.369900    
 C   0.1690000     -0.7469000      -2.195300    
 C   -2.516100     -3.1399999E-02  -1.949500    
 C   -4.155700     -0.6061000       1.079300    
 C   -2.140000       2.086800      0.5990000    
 C    2.063500       1.587800       1.363900    
 C    2.939400      -1.010500     -0.1505000    
 C    1.270500       2.126200     -0.8537000    
 C    1.241800      -2.392300      0.8719000    
 C  -0.6965000     -0.9044000      -3.277700    
 C   -2.039100     -0.5465000      -3.154700    
 C   -4.768800      -1.489700       2.158200    
 C    2.717100       2.818300       1.428900    
 C    3.863100      -2.047200     -1.8200001E-02
 C    1.924100       3.356700     -0.7886000    
 C    2.165500      -3.429100       1.004100    
 C    2.647500       3.702800      0.3527000    
 C    3.476200      -3.256700      0.5591000    
 H   -2.136900      -1.160600       1.444600    
 H   -2.640800      0.2668000       2.350000    
 H    1.209600      -1.019600      -2.338400    
 H   -3.563800      0.2501000      -1.875800    
 H   -4.241200      -1.123100      0.1177000    
 H  -0.1785000      0.7543000       1.813300    
 H   -1.132900       2.457400      0.7973000    
 H   -2.760500       2.348700       1.462900    
 H   -2.541300       2.631000     -0.2631000    
 H    2.130400      0.9111000       2.209000    
 H    3.269500     -0.1035000     -0.6420000    
 H   0.7251000       1.904500      -1.761000    
 H   0.2225000      -2.549100       1.206400    
 H  -0.3245000      -1.301000      -4.217900    
 H   -2.712300     -0.6663000      -3.998500    
 H   -5.815100      -1.711500       1.922100    
 H   -4.765800     -0.9814000       3.128800    
 H   -4.223400      -2.433300       2.254100    
 H    3.280900       3.087500       2.317300    
 H    4.881100      -1.916900     -0.3736000    
 H    1.870600       4.045800      -1.626500    
 H    1.863200      -4.372600       1.449100    
 H    3.156700       4.660800      0.4033000    
 H    4.194500      -4.065100      0.6590000    
 H   -4.623600       1.091100      0.2330000    


%chk=000158881-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158881

0 1
O 0.185813 -0.405157 1.682670
O -5.173135 0.980929 1.005295
N -2.012002 0.597204 0.683046
C 0.840270 -0.216757 0.376236
C -0.214609 -0.414520 -0.753027
C -1.565438 0.029892 -0.598980
C 1.429505 1.220360 0.313883
C 1.960989 -1.277582 0.302405
C -3.006742 -0.208137 1.465764
C 0.161145 -0.981531 -1.996488
C -2.465402 -0.056263 -1.690998
C -4.474225 -0.325021 0.983218
C -2.192313 2.072252 0.666164
C 1.975290 1.763882 1.505818
C 3.181143 -1.041742 -0.376531
C 1.467891 1.997353 -0.870223
C 1.746253 -2.540290 0.908759
C -0.748368 -1.093507 -3.069777
C -2.068263 -0.615250 -2.924061
C -5.276479 -1.227892 1.928091
C 2.543911 3.054900 1.513531
C 4.168713 -2.051355 -0.452439
C 2.035371 3.294268 -0.863174
C 2.731700 -3.548311 0.835094
C 2.575886 3.828083 0.327620
C 3.947048 -3.309948 0.150460
H -2.586171 -1.228584 1.550028
H -3.028731 0.227446 2.484701
H 1.185759 -1.346028 -2.119788
H -3.484713 0.330651 -1.583387
H -4.504950 -0.754569 -0.039884
H -0.693158 0.125962 1.568654
H -1.221269 2.552535 0.453332
H -2.544479 2.405451 1.657014
H -2.912799 2.428779 -0.104828
H 1.931117 1.160301 2.417699
H 3.372102 -0.063338 -0.831046
H 1.051201 1.597395 -1.801281
H 0.814067 -2.701996 1.457310
H -0.423348 -1.542269 -4.014773
H -2.780018 -0.677589 -3.754449
H -6.331165 -1.259996 1.607460
H -5.244229 -0.832375 2.959177
H -4.874451 -2.256712 1.928249
H 2.961980 3.460067 2.442324
H 5.110759 -1.850824 -0.975665
H 2.053596 3.883522 -1.787395
H 2.555000 -4.517974 1.314941
H 3.014971 4.832248 0.333757
H 4.713452 -4.091597 0.095460
H -4.744977 1.598836 0.361134


