%chk=000049692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049692

0 1
 O   0.2609000      -4.191100       1.680200    
 O  -0.1194000      0.1811000     -0.4254000    
 O    4.627200     -0.1405000     -0.4306000    
 O   3.0999999E-02   4.082900      0.7247000    
 N    1.105700      -2.113300     -7.2200000E-02
 C    2.122100      -1.406600     -0.8489000    
 C    1.435100      -2.092200       1.359800    
 C   0.9656000      -3.500500     -0.5361000    
 C    2.234900      2.3900000E-02 -0.4269000    
 C   0.3679000      -2.846100       2.148200    
 C  -9.1399997E-02  -4.220400      0.2966000    
 C    1.088400      0.7924000     -0.2223000    
 C    1.201400       2.122200      0.1704000    
 C    3.494600      0.5919000     -0.2366000    
 C   -1.320700       2.209200      0.1516000    
 C  -2.3499999E-02   2.908900      0.3802000    
 C   -1.275000      0.9181000     -0.2341000    
 C    2.461600       2.695300      0.3616000    
 C    3.607500       1.925500      0.1571000    
 C   -2.554800       3.030600      0.3903000    
 C   -2.483600      0.1249000     -0.4964000    
 C   -3.021600       2.932900       1.829000    
 C   -3.033900      9.4499998E-02  -1.778000    
 C   -3.081200     -0.5989000      0.5357000    
 C    5.188300     -0.1306000      -1.741600    
 C   -4.181000     -0.6591000      -2.027400    
 C   -4.228200      -1.352500      0.2864000    
 C   -4.778100      -1.382500     -0.9951000    
 H    1.852400      -1.415000      -1.913200    
 H    3.078700      -1.935800     -0.7630000    
 H    1.482300      -1.079000       1.770500    
 H    2.410500      -2.567700       1.529700    
 H    1.922300      -4.031600     -0.4473000    
 H   0.6621000      -3.520100      -1.589000    
 H   0.6439000      -2.884600       3.206800    
 H  -0.6100000      -2.354500       2.078100    
 H   -1.084600      -3.774400      0.1622000    
 H  -0.1555000      -5.269700     -8.5000005E-03
 H    2.570600       3.731700      0.6683000    
 H    4.586700       2.372500      0.3075000    
 H   -2.381000       4.080600      0.1268000    
 H   -3.367900       2.706700     -0.2696000    
 H   -3.918600       3.543600       1.974800    
 H   -2.255300       3.296400       2.522100    
 H   -3.271000       1.905500       2.109900    
 H   -2.579300      0.6527000      -2.593100    
 H   -2.662300     -0.5889000       1.539000    
 H    5.533000      0.8756000      -1.999700    
 H    4.461200     -0.4783000      -2.482200    
 H    6.047200     -0.8072000      -1.751400    
 H   -4.609100     -0.6827000      -3.025300    
 H   -4.692400      -1.916900       1.089900    
 H   -5.670900      -1.969600      -1.189300    


%chk=000049692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049692

0 1
O 0.915010 -4.556862 1.935117
O -0.443883 0.301448 -0.748395
O 4.264073 -0.463658 -0.672750
O -0.063619 4.302717 0.307667
N 1.121431 -2.321590 0.096322
C 1.654948 -1.530929 -1.052194
C 2.119463 -2.518238 1.178971
C 0.576107 -3.631062 -0.345758
C 1.910475 -0.079657 -0.687361
C 1.463641 -3.254713 2.356814
C -0.059869 -4.356230 0.851632
C 0.833363 0.824047 -0.522706
C 0.998614 2.190514 -0.182356
C 3.214876 0.451576 -0.509120
C -1.509325 2.413836 -0.121405
C -0.180509 3.062356 0.014244
C -1.593550 1.093562 -0.530447
C 2.320269 2.673901 -0.016011
C 3.422268 1.824668 -0.179437
C -2.704910 3.257414 0.285771
C -2.796174 0.256484 -0.772674
C -2.767739 3.445009 1.826898
C -3.911166 0.735378 -1.511039
C -2.805214 -1.085060 -0.298481
C 5.639619 0.023879 -0.523947
C -5.025930 -0.098949 -1.740720
C -3.924277 -1.912993 -0.525178
C -5.041438 -1.422083 -1.241371
H 0.884763 -1.565258 -1.844527
H 2.591439 -1.976181 -1.457517
H 2.484205 -1.531293 1.517403
H 3.002114 -3.103848 0.818640
H 1.371292 -4.284594 -0.786871
H -0.193078 -3.455019 -1.122291
H 2.200421 -3.488616 3.142975
H 0.649764 -2.626816 2.779612
H -0.920588 -3.760489 1.229338
H -0.402000 -5.366533 0.571679
H 2.443993 3.729353 0.246825
H 4.433167 2.219254 -0.047803
H -2.598417 4.254274 -0.180977
H -3.651679 2.814888 -0.059928
H -3.631930 4.078215 2.098897
H -1.852455 3.938839 2.192798
H -2.878372 2.472782 2.340714
H -3.889559 1.742876 -1.938793
H -1.928322 -1.462114 0.240009
H 5.820680 0.411416 0.496627
H 5.870078 0.808494 -1.269301
H 6.272363 -0.857320 -0.703657
H -5.876141 0.279722 -2.318414
H -3.926088 -2.940684 -0.144810
H -5.909403 -2.066807 -1.418514


