%chk=000048676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048676

1 1
 O   0.9766000      0.2806000      0.6527000    
 O    1.924600       1.164600      -1.264100    
 N   -1.564000      -2.044800     -1.3400000E-02
 N   -2.324300       1.047600     -0.7107000    
 N    3.192700     -0.2702000      5.6100000E-02
 C   -1.025400     -0.9724000     -0.9492000    
 C   -3.045800      -1.803200      0.2357000    
 C   -1.373000      -3.414600     -0.6485000    
 C  -0.8119000      -1.989200       1.308500    
 C   -1.173700      0.4158000     -0.3998000    
 C  -0.1632000      0.9614000      0.3695000    
 C  -0.3468000       2.250800      0.8563000    
 C   -2.467200       2.299200     -0.2200000    
 C   -1.518000       2.939500      0.5603000    
 C    2.036500      0.4471000     -0.2706000    
 C    4.366500     -0.1966000     -0.8021000    
 C    3.316400      -1.115700       1.239100    
 H   -1.583100      -1.058300      -1.891100    
 H   1.6799999E-02  -1.221300      -1.179100    
 H   -3.556500      -1.722500     -0.7285000    
 H   -3.438500      -2.658800      0.7945000    
 H   -3.179400     -0.8984000      0.8342000    
 H  -0.3037000      -3.570900     -0.8199000    
 H   -1.763800      -4.174000      3.5100002E-02
 H   -1.920600      -3.436100      -1.595400    
 H   0.2566000      -2.100700       1.110500    
 H   -1.050500      -1.068000       1.844100    
 H   -1.151100      -2.835000       1.916600    
 H   0.4175000       2.724100       1.466400    
 H   -3.398100       2.792800     -0.4789000    
 H   -1.682700       3.945300      0.9291000    
 H    5.201700      0.2073000     -0.2225000    
 H    4.193200      0.4447000      -1.669800    
 H    4.613300      -1.204500      -1.147900    
 H    3.475100      -2.147900      0.9138000    
 H    2.427500      -1.074800       1.871000    
 H    4.178200     -0.7795000       1.822800    


%chk=000048676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048676

1 1
O 1.528588 0.476678 0.791068
O 1.490278 -0.051317 -1.518198
N -1.942622 -2.162918 -0.058958
N -2.183772 0.718284 0.431051
N 3.502660 -0.078774 -0.293647
C -0.716703 -1.228722 -0.098845
C -2.972057 -1.749503 -1.118874
C -1.442869 -3.570346 -0.385797
C -2.602085 -2.181484 1.320545
C -0.921764 0.200583 0.385003
C 0.206300 0.984642 0.750868
C 0.015268 2.313789 1.183432
C -2.365626 2.004428 0.844982
C -1.293017 2.836938 1.232337
C 2.162787 0.097732 -0.464182
C 4.316641 -0.480794 -1.461692
C 4.233008 0.156562 0.968633
H -0.352507 -1.209979 -1.141854
H 0.068703 -1.712221 0.510500
H -2.490970 -1.788835 -2.108541
H -3.815703 -2.456194 -1.079093
H -3.292796 -0.724949 -0.884305
H -0.772098 -3.913793 0.416767
H -2.308318 -4.245627 -0.463816
H -0.900894 -3.546902 -1.343490
H -1.838462 -2.415399 2.078779
H -3.039186 -1.191732 1.506999
H -3.383326 -2.957447 1.322314
H 0.885446 2.911021 1.470664
H -3.398873 2.363821 0.862987
H -1.478725 3.863904 1.557895
H 5.075336 0.293418 -1.675595
H 3.665697 -0.597950 -2.339770
H 4.832062 -1.435961 -1.254237
H 4.774185 -0.761086 1.262955
H 3.536062 0.435766 1.767985
H 4.971250 0.967767 0.829928


