%chk=000049212.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049212

0 1
 O   0.7818000       1.057600      -2.193800    
 O    1.004600     -0.3903000       2.267600    
 O    4.200700       2.417700      0.5479000    
 N    2.542200       1.656800     -0.8506000    
 N    2.653900      0.9330000       1.377900    
 C    1.105000     -0.2035000     -0.1480000    
 C    1.874500      -1.459600     -0.5943000    
 C  -0.4020000     -0.4978000     -0.1682000    
 C    1.629700      -2.599100      0.4076000    
 C    1.423000      0.8966000      -1.155700    
 C    1.544900      0.1061000       1.279400    
 C    1.464500      -1.831900      -2.017900    
 C   -1.201300      0.7578000      0.1516000    
 C    2.403300      -3.868400      8.0300003E-02
 C   -2.682000      0.4773000      0.1292000    
 C    3.211800       1.705400      0.3662000    
 C   -3.386300      0.6273000      -1.056400    
 C   -3.317100      7.3399998E-02   1.294300    
 C   -4.756600      0.3675000      -1.077400    
 C   -4.687500     -0.1864000       1.273200    
 C   -5.407100     -3.9400000E-02  8.7200001E-02
 H    2.952900      -1.247100     -0.6071000    
 H  -0.6842000      -1.267400      0.5586000    
 H  -0.7426000     -0.8539000      -1.145600    
 H   0.5743000      -2.880400      0.4643000    
 H    1.957000      -2.326200       1.413500    
 H   0.4412000      -2.208300      -2.095600    
 H    2.102700      -2.651100      -2.371800    
 H    1.618400      -1.041500      -2.753800    
 H   -1.000400       1.574700     -0.5502000    
 H  -0.9347000       1.155400       1.138800    
 H    2.287000      -4.598600      0.8882000    
 H    3.471900      -3.660800     -3.4899998E-02
 H    2.038200      -4.338000     -0.8377000    
 H    2.859600       2.305000      -1.565900    
 H    3.053700       1.047800       2.305100    
 H   -2.888200      0.9414000      -1.969300    
 H   -2.765100     -4.6300001E-02   2.222200    
 H   -5.316800      0.4813000      -2.000800    
 H   -5.194100     -0.5040000       2.179800    
 H   -6.474000     -0.2420000      7.0900001E-02


%chk=000049212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049212

0 1
O 0.792611 1.131476 -2.262215
O 1.049892 -0.250555 2.289729
O 4.438070 2.281624 0.371862
N 2.664239 1.571734 -0.980125
N 2.772069 0.914574 1.283540
C 1.063862 -0.179242 -0.183196
C 1.861637 -1.525618 -0.616286
C -0.470553 -0.398504 -0.171134
C 1.456876 -2.742819 0.264663
C 1.447002 0.894287 -1.215454
C 1.578027 0.163452 1.225289
C 1.692535 -1.848958 -2.119730
C -1.293242 0.858537 0.229844
C 2.538028 -3.847501 0.275399
C -2.785302 0.558026 0.213590
C 3.377588 1.624415 0.230755
C -3.547414 0.741147 -0.969157
C -3.433906 0.043250 1.365809
C -4.923528 0.420596 -1.000693
C -4.809781 -0.278696 1.338793
C -5.559719 -0.091545 0.154189
H 2.937063 -1.316049 -0.430364
H -0.703542 -1.209882 0.538429
H -0.787325 -0.721902 -1.177847
H 0.505204 -3.162591 -0.114704
H 1.268556 -2.422205 1.305603
H 0.629006 -1.959783 -2.394167
H 2.199020 -2.804583 -2.342838
H 2.130698 -1.078949 -2.776472
H -1.069547 1.679636 -0.475791
H -0.986707 1.180804 1.242669
H 2.215489 -4.697461 0.903481
H 3.491073 -3.467574 0.689454
H 2.742487 -4.242306 -0.736528
H 3.009218 2.184942 -1.726027
H 3.204672 1.031891 2.205682
H -3.057682 1.141323 -1.865903
H -2.856387 -0.099302 2.288000
H -5.499085 0.572745 -1.921047
H -5.297012 -0.670529 2.239107
H -6.627389 -0.337803 0.132593


