%chk=000050451.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050451

0 1
 O    1.332400      -1.675700     -0.3338000    
 O    3.303500      -2.309800      0.6774000    
 N    4.667700     -0.2599000     -0.4559000    
 C   -2.968900      -1.497400     -0.1472000    
 C   -3.716300     -0.2174000      0.2376000    
 C   -1.491800      -1.483400      0.2529000    
 C   -5.174000     -0.2003000     -0.2273000    
 C  -0.7906000      -2.771900     -0.1748000    
 C   -5.849700       1.127300      0.1191000    
 C   0.6696000      -2.786100      0.2548000    
 C   -7.287400       1.166000     -0.3738000    
 C    3.227100     -0.3092000     -0.7202000    
 C    2.667400      -1.548000     -3.9799999E-02
 C    2.537600      0.9590000     -0.2644000    
 C    2.426800       2.043900      -1.134400    
 C    2.012500       1.042800       1.025100    
 C    1.791300       3.212400     -0.7146000    
 C    1.376800       2.211500       1.444800    
 C    1.266200       3.296200      0.5747000    
 H   -3.465600      -2.356000      0.3213000    
 H   -3.044700      -1.641600      -1.232300    
 H   -3.191000      0.6428000     -0.1962000    
 H   -3.680000     -9.3000002E-02   1.327000    
 H   -1.410300      -1.360200       1.339600    
 H   -1.004600     -0.6159000     -0.2077000    
 H   -5.718700      -1.028900      0.2410000    
 H   -5.212900     -0.3593000      -1.311800    
 H  -0.8465000      -2.858800      -1.266800    
 H   -1.302700      -3.640700      0.2542000    
 H   -5.294500       1.957700     -0.3325000    
 H   -5.835600       1.279600       1.204600    
 H   0.7424000      -2.724200       1.347000    
 H    1.140400      -3.716300     -8.3099999E-02
 H   -7.332500       1.050700      -1.461500    
 H   -7.751600       2.122600     -0.1142000    
 H   -7.879600      0.3660000      8.1699997E-02
 H    3.078700     -0.4506000      -1.798400    
 H    2.832700       1.991100      -2.141100    
 H    2.097100      0.2238000       1.733700    
 H    5.109300      -1.104100     -0.8195000    
 H    5.082300      0.5148000     -0.9734000    
 H    1.705500       4.057200      -1.391700    
 H   0.9712000       2.278500       2.450100    
 H   0.7722000       4.206400      0.9018000    


%chk=000050451-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050451

0 1
O 1.458094 -1.731231 -0.471824
O 3.288380 -2.386081 0.808428
N 4.760101 -0.246535 -0.011009
C -2.929714 -1.407281 -0.434539
C -3.683551 -0.199084 0.166154
C -1.488590 -1.550529 0.102520
C -5.123258 -0.045635 -0.373568
C -0.744219 -2.764606 -0.497003
C -5.880964 1.156520 0.235456
C 0.686976 -2.921176 0.015072
C -7.318755 1.302516 -0.308230
C 3.397100 -0.290164 -0.520735
C 2.736851 -1.573890 0.028753
C 2.561599 0.953018 -0.139728
C 1.510024 1.399997 -0.975655
C 2.841957 1.652296 1.057546
C 0.741092 2.529456 -0.615254
C 2.070747 2.778801 1.421990
C 1.017739 3.221595 0.587428
H -3.499887 -2.336492 -0.221878
H -2.900960 -1.306934 -1.540075
H -3.110651 0.728773 -0.041979
H -3.715549 -0.300769 1.271216
H -1.516392 -1.648000 1.208096
H -0.916065 -0.628546 -0.116459
H -5.693497 -0.976488 -0.170236
H -5.092861 0.064025 -1.478130
H -0.726593 -2.688335 -1.602063
H -1.291631 -3.698171 -0.251670
H -5.310903 2.086292 0.032828
H -5.911010 1.045817 1.338774
H 0.742125 -2.939143 1.119015
H 1.182137 -3.828176 -0.377390
H -7.315114 1.448029 -1.405145
H -7.838452 2.166666 0.145292
H -7.917295 0.397069 -0.093066
H 3.339162 -0.391771 -1.630649
H 1.288025 0.859854 -1.904239
H 3.678820 1.306077 1.673501
H 5.106463 -1.108177 0.412450
H 5.429524 0.325971 -0.519747
H -0.066499 2.872848 -1.272123
H 2.292849 3.313867 2.352642
H 0.423847 4.099328 0.867234


