%chk=000050453.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050453

0 1
 O    1.882500      -1.641700     -0.3114000    
 O    3.863300      -2.132900      0.7584000    
 N    5.123900     -1.8400000E-02 -0.3762000    
 C   -3.265900     -0.5532000      0.1310000    
 C   -2.441100      -1.776000     -0.2754000    
 C   -4.732800     -0.6354000     -0.3025000    
 C  -0.9943000      -1.654700      0.2100000    
 C   -5.614900      0.5517000      9.6100003E-02
 C  -0.1752000      -2.891500     -0.1708000    
 C   -7.078600      0.3875000     -0.3141000    
 C    1.276500      -2.782300      0.2794000    
 C   -7.927100       1.547800      0.1833000    
 C    3.696500     -0.1632000     -0.6748000    
 C    3.198900      -1.424400      1.2800000E-02
 C    2.916800       1.065500     -0.2581000    
 C    2.760100       2.127400      -1.148900    
 C    2.354700       1.135900       1.016600    
 C    2.041400       3.259700     -0.7650000    
 C    1.635900       2.268100       1.400400    
 C    1.479400       3.330000      0.5094000    
 H   -2.816700      0.3492000     -0.3019000    
 H   -3.225500     -0.4347000       1.220800    
 H   -2.896200      -2.680000      0.1468000    
 H   -2.458200      -1.883900      -1.366500    
 H   -5.168300      -1.550500      0.1188000    
 H   -4.771500     -0.7499000      -1.393300    
 H  -0.5439000     -0.7548000     -0.2255000    
 H  -0.9788000      -1.529000       1.299400    
 H   -5.209900       1.466600     -0.3535000    
 H   -5.556800      0.6823000       1.183900    
 H  -0.2016000      -3.006800      -1.261400    
 H  -0.6252000      -3.789200      0.2681000    
 H   -7.152600      0.3223000      -1.405600    
 H   -7.476500     -0.5482000      9.5299996E-02
 H    1.321200      -2.697100       1.371700    
 H    1.818500      -3.684200     -2.8100001E-02
 H   -8.969200       1.413400     -0.1231000    
 H   -7.571700       2.497900     -0.2281000    
 H   -7.900300       1.614200       1.275600    
 H    3.585000     -0.3306000      -1.753800    
 H    3.194200       2.084800      -2.144300    
 H    2.472800      0.3352000       1.741000    
 H    5.627100     -0.8384000     -0.7144000    
 H    5.501900      0.7730000     -0.8966000    
 H    1.919800       4.086700      -1.458500    
 H    1.201400       2.324900       2.394100    
 H   0.9206000       4.211900      0.8086000    


%chk=000050453-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050453

0 1
O 2.075679 -1.758020 -0.529181
O 3.792316 -2.146437 0.995953
N 5.020996 0.200658 0.369882
C -3.131967 -0.623535 0.150298
C -2.311120 -1.757369 -0.504795
C -4.575623 -0.519045 -0.390399
C -0.866984 -1.844199 0.035914
C -5.393043 0.618512 0.262610
C -0.037113 -2.960984 -0.635530
C -6.838258 0.722701 -0.275674
C 1.402805 -3.036219 -0.126713
C -7.646490 1.862753 0.381324
C 3.779221 -0.055826 -0.346092
C 3.240269 -1.422183 0.134513
C 2.718853 1.049115 -0.142250
C 1.767477 1.331277 -1.151930
C 2.689536 1.786152 1.064939
C 0.789194 2.331492 -0.953235
C 1.709755 2.784173 1.266835
C 0.755393 3.059774 0.259445
H -2.607786 0.342158 -0.008236
H -3.162494 -0.781420 1.248733
H -2.829353 -2.726554 -0.343902
H -2.282077 -1.598627 -1.603439
H -5.099365 -1.484811 -0.228579
H -4.545472 -0.363243 -1.489447
H -0.356120 -0.874158 -0.117878
H -0.894582 -2.016577 1.132312
H -4.871730 1.585233 0.099629
H -5.422997 0.464703 1.361791
H -0.026600 -2.813686 -1.733448
H -0.510586 -3.947609 -0.451388
H -6.807529 0.874970 -1.374087
H -7.358558 -0.243143 -0.110971
H 1.460365 -3.127106 0.973242
H 1.970149 -3.868712 -0.581706
H -8.676823 1.912541 -0.016789
H -7.166652 2.843434 0.201164
H -7.713627 1.719930 1.476548
H 3.914885 -0.175695 -1.447813
H 1.785850 0.761409 -2.088959
H 3.454739 1.572045 1.818771
H 5.429201 -0.599792 0.854341
H 5.664112 0.872202 -0.043077
H 0.060061 2.547136 -1.742841
H 1.692514 3.349531 2.205881
H -0.000821 3.838048 0.413933


