%chk=000048959.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048959

0 1
 O   0.9860000     -5.7000001E-03 -0.1240000    
 O    1.922800      -1.991100     -0.8164000    
 N   -2.697600      6.7100003E-02 -0.2425000    
 C   -5.104100      0.6724000     -0.3233000    
 C   -3.672800       1.144300     -1.6400000E-02
 C   -5.451100     -0.5701000      0.5043000    
 C   -4.386300      -1.646800      0.3240000    
 C   -2.987300      -1.098000      0.6040000    
 C   -1.337600      0.5488000     -1.3000000E-03
 C   -6.111100       1.791400     -6.4199999E-02
 C  -0.3180000     -0.5215000     -0.3569000    
 C    2.020200     -0.8486000     -0.3962000    
 C    3.322000     -0.1940000     -0.1111000    
 C    4.388400     -0.9748000      0.2853000    
 C    3.425100       1.174800     -0.2518000    
 C    5.611400     -0.3599000      0.5528000    
 C    4.648300       1.789600      1.5600000E-02
 C    5.741500       1.022100      0.4180000    
 H   -5.162300      0.4069000      -1.387900    
 H   -3.439600       1.990900     -0.6747000    
 H   -3.610900       1.511100       1.017300    
 H   -6.429400     -0.9647000      0.2063000    
 H   -5.522100     -0.3060000       1.567200    
 H   -4.596000      -2.487200      0.9955000    
 H   -4.431600      -2.037400     -0.7007000    
 H   -2.893500     -0.8457000       1.668400    
 H   -2.312500      -1.933100      0.4004000    
 H   -1.196500      0.8685000       1.039900    
 H   -1.133300       1.433000     -0.6191000    
 H   -5.884500       2.667600     -0.6808000    
 H   -7.126900       1.463300     -0.3083000    
 H   -6.099000       2.103800      0.9855000    
 H  -0.4145000     -0.8072000      -1.411500    
 H  -0.4143000      -1.411600      0.2700000    
 H    4.298700      -2.051300      0.3969000    
 H    2.593400       1.792900     -0.5764000    
 H    6.462500     -0.9573000      0.8668000    
 H    4.750900       2.865500     -9.2200004E-02
 H    6.693900       1.500700      0.6257000    


%chk=000048959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048959

0 1
O 1.006188 0.077008 -0.159594
O 1.921885 -1.919267 -0.938940
N -2.735399 0.020119 -0.011142
C -5.142372 0.545680 -0.480046
C -3.747845 1.101483 -0.105845
C -5.564401 -0.536978 0.544698
C -4.475264 -1.623216 0.683190
C -3.113049 -0.984804 1.016315
C -1.352600 0.523742 0.159146
C -6.179851 1.683057 -0.574473
C -0.351533 -0.464651 -0.452654
C 2.079232 -0.769142 -0.457358
C 3.395976 -0.146218 -0.133336
C 4.569293 -0.907109 -0.375876
C 3.500127 1.163584 0.403157
C 5.836450 -0.362736 -0.083507
C 4.770612 1.704380 0.693300
C 5.939595 0.943883 0.451559
H -5.043233 0.058968 -1.472209
H -3.416391 1.821522 -0.878007
H -3.838519 1.666412 0.861627
H -6.528191 -0.989855 0.241436
H -5.731991 -0.052878 1.530673
H -4.746078 -2.346200 1.476625
H -4.383036 -2.184139 -0.266488
H -3.166529 -0.510358 2.032947
H -2.332159 -1.765277 1.061911
H -1.087465 0.702276 1.229715
H -1.257478 1.492767 -0.363734
H -5.889090 2.435679 -1.331496
H -7.174002 1.288637 -0.855321
H -6.287115 2.203046 0.397339
H -0.481648 -0.543959 -1.545680
H -0.430461 -1.477268 -0.019690
H 4.463047 -1.915203 -0.790181
H 2.588626 1.739331 0.585759
H 6.740668 -0.951862 -0.270841
H 4.851457 2.715555 1.106844
H 6.924844 1.366691 0.678381


