%chk=000048476.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048476

0 1
 O   -2.031400       1.148800      0.2001000    
 O   0.1381000       2.138000       1.367300    
 O   0.7055000     -0.7200000      -2.315100    
 O    4.243300      0.3221000      0.4150000    
 N    2.166000       1.151000      0.9474000    
 N    2.449500     -0.2762000     -0.8925000    
 C   0.1687000      0.2555000     -0.1609000    
 C  -0.2344000     -0.9475000      0.7104000    
 C   -1.086200      0.8506000     -0.8161000    
 C  -0.8836000      -2.078200     -0.1091000    
 C   0.7977000       1.289100      0.7681000    
 C    1.107400     -0.2707000      -1.242100    
 C   0.9943000      -1.485700       1.447900    
 C   -1.352800      -3.258400      0.7450000    
 C  -0.7582000       2.108100      -1.596300    
 C    3.034500      0.3808000      0.1833000    
 C   -2.049300      -4.313000     -0.1019000    
 C   -3.222800       1.705700     -0.3403000    
 C   -4.186200       2.000200      0.7898000    
 H  -0.9463000     -0.6303000       1.484700    
 H   -1.534400      0.1428000      -1.522900    
 H  -0.1868000      -2.476700     -0.8543000    
 H   -1.759600      -1.707500     -0.6493000    
 H   0.6816000      -2.270800       2.147100    
 H    1.469200     -0.7684000       2.118000    
 H    1.730300      -1.965400      0.7985000    
 H   -2.039500      -2.907700       1.523800    
 H  -0.5085000      -3.745000       1.242200    
 H   0.1610000       2.009200      -2.182400    
 H   -1.544300       2.333600      -2.326400    
 H  -0.6604000       2.991000     -0.9557000    
 H    2.591400       1.734300       1.662500    
 H    3.083700     -0.7451000      -1.533300    
 H   -2.933000      -3.898200     -0.5973000    
 H   -1.376900      -4.706900     -0.8707000    
 H   -2.374100      -5.149000      0.5256000    
 H   -3.034400       2.655500     -0.8481000    
 H   -3.680400       1.001000      -1.043500    
 H   -5.117900       2.428400      0.4094000    
 H   -4.419200       1.085300       1.344800    
 H   -3.740600       2.700500       1.504100    


%chk=000048476-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048476

0 1
O -1.935618 1.057971 0.108833
O 0.412576 1.745035 1.862477
O 0.919141 -0.993272 -2.152875
O 4.513499 1.211868 -0.233291
N 2.408004 1.477500 0.751168
N 2.676502 0.062341 -1.110784
C 0.371348 0.228990 -0.085790
C -0.147660 -1.004970 0.789543
C -0.821817 0.948002 -0.833210
C -1.045213 -1.996531 0.006778
C 1.029312 1.206085 0.911105
C 1.314596 -0.280285 -1.190958
C 1.039269 -1.723092 1.478581
C -1.732332 -3.038794 0.924013
C -0.418275 2.318140 -1.414911
C 3.288413 0.936471 -0.195577
C -2.761523 -3.895997 0.155626
C -3.239081 1.291678 -0.537553
C -4.309986 1.132387 0.541303
H -0.773995 -0.515978 1.560037
H -1.107686 0.267998 -1.665091
H -0.458553 -2.515718 -0.774476
H -1.841841 -1.433713 -0.513801
H 0.665982 -2.464780 2.204536
H 1.682665 -1.023311 2.043052
H 1.670411 -2.264048 0.747563
H -2.237591 -2.514081 1.760845
H -0.976325 -3.706780 1.380459
H 0.465699 2.226870 -2.073762
H -1.236863 2.735007 -2.026966
H -0.194678 3.037087 -0.607747
H 2.826494 2.119552 1.432764
H 3.290414 -0.323704 -1.835978
H -3.562432 -3.264393 -0.273568
H -2.280498 -4.439037 -0.679612
H -3.237614 -4.643562 0.816331
H -3.273236 2.311959 -0.974818
H -3.383602 0.556485 -1.361823
H -5.313378 1.328901 0.121305
H -4.295041 0.110001 0.957014
H -4.128486 1.842520 1.366059


