%chk=000083648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083648

0 1
 O   -4.551000       1.798400      -2.049700    
 O   -5.902600     -0.1972000       1.907400    
 O    4.549400       1.798500       2.049900    
 O    5.901100     -0.1965000      -1.907500    
 N   -4.789800      0.5167000     -6.5099999E-02
 N    4.788300      0.5171000      6.5099999E-02
 C  -6.0000003E-04  -2.598700     -9.9999997E-05
 C   -1.251000      -1.785700     -1.7000001E-02
 C    1.269700      -1.772500      1.7100001E-02
 C   -3.589200     -0.2643000     -4.8900001E-02
 C    3.587800     -0.2641000      4.8799999E-02
 C   -1.819300      -1.405500      -1.232900    
 C    1.817800      -1.405400       1.232700    
 C   -1.851900      -1.405500       1.182900    
 C    1.850600      -1.405100      -1.183000    
 C   -2.988200     -0.6447000      -1.248800    
 C    2.986800     -0.6446000       1.248700    
 C   -3.021100     -0.6449000       1.167000    
 C    3.019700     -0.6445000      -1.167000    
 C   -5.136100       1.423300      -1.046800    
 C   -5.777600      0.4776000      0.8984000    
 C    5.134500       1.423600       1.046800    
 C    5.776100      0.4782000     -0.8984000    
 C   -6.439900       1.985700     -0.6659000    
 C   -6.812700       1.436700      0.4860000    
 C    6.438300       1.986200      0.6661000    
 C    6.811100       1.437200     -0.4858000    
 H  -6.8000001E-03  -3.276900      0.8648000    
 H   1.6799999E-02  -3.276900     -0.8649000    
 H   -1.365100      -1.700600      -2.175100    
 H    1.360800      -1.702500       2.172000    
 H   -1.416900      -1.690300       2.137300    
 H    1.412500      -1.691800      -2.134600    
 H   -3.417700     -0.3901000      -2.212700    
 H    3.416300     -0.3901000       2.212700    
 H   -3.446200     -0.3435000       2.119300    
 H    3.444700     -0.3429000      -2.119400    
 H   -6.975600       2.725200      -1.237100    
 H   -7.716500       1.633500       1.037700    
 H    6.973800       2.725600       1.237400    
 H    7.714900       1.634200      -1.037600    


%chk=000083648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083648

0 1
O -5.326747 0.549205 -2.612324
O -5.320789 0.894946 2.097330
O 5.324547 0.552130 2.613179
O 5.321043 0.898921 -2.096337
N -4.945154 0.492646 -0.241107
N 4.944488 0.495913 0.241787
C 0.000810 -2.556410 -0.001433
C -1.285502 -1.736540 -0.081383
C 1.286512 -1.735725 0.079686
C -3.716883 -0.257383 -0.187159
C 3.716744 -0.254913 0.187018
C -2.272564 -2.025310 -1.054520
C 2.274068 -2.025291 1.052085
C -1.540232 -0.685914 0.836967
C 1.540100 -0.683404 -0.837048
C -3.483652 -1.303913 -1.110660
C 3.484628 -1.303055 1.108943
C -2.736663 0.054575 0.788200
C 2.735970 0.057933 -0.787468
C -5.657504 0.838237 -1.438044
C -5.652091 1.013456 0.894147
C 5.656102 0.841325 1.439167
C 5.651553 1.017605 -0.892959
C -6.870198 1.616385 -1.002304
C -6.866472 1.719251 0.352295
C 6.868109 1.621084 1.004333
C 6.865302 1.723886 -0.350278
H -0.046610 -3.224327 0.881634
H 0.048671 -3.222828 -0.885621
H -2.098333 -2.829651 -1.779357
H 2.100662 -2.830949 1.775649
H -0.786316 -0.435829 1.592032
H 0.785676 -0.432704 -1.591402
H -4.228465 -1.540389 -1.873876
H 4.229948 -1.540131 1.871494
H -2.914692 0.856795 1.507988
H 2.913142 0.861537 -1.505927
H -7.586611 2.003187 -1.726960
H -7.581596 2.207391 1.014302
H 7.583690 2.008521 1.729475
H 7.580506 2.212640 -1.011747


