%chk=000002548.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002548

0 1
 O   -3.072000      -1.197800      -1.617800    
 O   0.1878000       2.833200      -1.662500    
 O    1.446900       3.484400      0.7288000    
 N   -3.043500     -0.9878000      0.6980000    
 C  -0.1532000      -2.780700     -0.2617000    
 C   -1.356800      -3.413700      0.4471000    
 C    1.164900      -2.963700      0.4986000    
 C   -2.667700      -3.159700     -0.2969000    
 C    4.319300     -0.8137000     -0.3766000    
 C    2.344800      -2.359700     -0.2073000    
 C   -2.946800      -1.682900     -0.4955000    
 C    3.130100      -1.413900      0.3296000    
 C   -3.310500      0.4304000      0.7665000    
 C   -2.047100       1.241400      0.7528000    
 C    5.597800      -1.091700      0.4134000    
 C    4.118200      0.6898000     -0.5630000    
 C   -1.505200       1.668200     -0.4595000    
 C   -1.415200       1.568300       1.952700    
 C  -0.3315000       2.422100     -0.4721000    
 C  -0.2414000       2.321700       1.940100    
 C   0.3004000       2.748800      0.7277000    
 C  -0.5191000       2.457100      -2.842600    
 H  -6.0400002E-02  -3.215200      -1.265300    
 H  -0.3197000      -1.705600     -0.4004000    
 H   -1.416600      -3.030500       1.472200    
 H   -1.200900      -4.496200      0.5286000    
 H    1.060700      -2.540000       1.505200    
 H    1.358800      -4.035400      0.6292000    
 H   -3.504200      -3.599400      0.2583000    
 H   -2.639100      -3.641300      -1.281200    
 H    4.430800      -1.265600      -1.370500    
 H    2.563200      -2.734900      -1.204000    
 H    2.910800      -1.045300       1.329400    
 H   -3.875400      0.6149000       1.687400    
 H   -3.960900      0.7198000     -6.7400001E-02
 H   -2.942400      -1.486100       1.576800    
 H    6.470100     -0.6796000     -0.1053000    
 H    5.758900      -2.169000      0.5323000    
 H    5.559200     -0.6446000       1.413300    
 H    4.021900       1.206400      0.3988000    
 H    4.966500       1.130500      -1.097700    
 H    3.213300      0.8952000      -1.146100    
 H   -2.040500       1.388100      -1.360000    
 H   -1.826400       1.239800       2.903500    
 H   0.2410000       2.568500       2.882100    
 H    1.742500       3.608900       1.647000    
 H   3.4899998E-02   2.866300      -3.693800    
 H   -1.520100       2.900900      -2.872700    
 H  -0.5401000       1.369400      -2.971400    


%chk=000002548-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002548

0 1
O -3.540829 -1.113948 -1.460684
O 0.722227 2.194071 -1.284096
O 1.361977 3.639203 0.875811
N -3.161888 -0.990628 0.830499
C -0.255591 -2.665682 -0.432020
C -1.387916 -3.410988 0.309317
C 1.148090 -2.966276 0.156595
C -2.792820 -3.157316 -0.301594
C 4.210134 -0.536804 -0.593691
C 2.252141 -2.191454 -0.535234
C -3.194058 -1.676989 -0.374233
C 3.100990 -1.326584 0.079279
C -3.451741 0.457279 0.923675
C -2.195656 1.322595 0.946697
C 5.601399 -1.069144 -0.150994
C 4.079953 0.976298 -0.274557
C -1.348823 1.344852 -0.194445
C -1.851050 2.094810 2.074869
C -0.168851 2.116676 -0.209568
C -0.670276 2.877295 2.068715
C 0.174508 2.892595 0.941465
C 0.410957 1.382486 -2.465969
H -0.275498 -2.944833 -1.505623
H -0.436685 -1.573965 -0.386025
H -1.370190 -3.126172 1.383221
H -1.190941 -4.501773 0.285368
H 1.152884 -2.727356 1.239108
H 1.338389 -4.058083 0.070989
H -3.558699 -3.713440 0.275137
H -2.822879 -3.532846 -1.338774
H 4.120803 -0.676270 -1.690966
H 2.348803 -2.349916 -1.622636
H 3.002247 -1.168435 1.167352
H -4.057668 0.640215 1.829938
H -4.068906 0.693564 0.038261
H -2.779496 -1.459771 1.653599
H 6.412711 -0.497169 -0.639882
H 5.721758 -2.137145 -0.407349
H 5.727372 -0.964763 0.944083
H 4.172033 1.149426 0.815548
H 4.883268 1.550794 -0.773678
H 3.106776 1.386739 -0.596242
H -1.639640 0.756282 -1.070369
H -2.496402 2.094603 2.960884
H -0.405190 3.478956 2.948406
H 1.496713 4.138114 1.720207
H 1.227044 1.588694 -3.173652
H -0.557478 1.678079 -2.913231
H 0.392096 0.304223 -2.215413


