%chk=000125384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125384

0 1
 O    1.779800      0.1759000       1.014700    
 O    4.352500     -0.9509000     -0.2033000    
 O    1.794700       2.965100      0.7439000    
 O  -0.1178000      -3.359600      0.2734000    
 O   -1.908200       2.573700     -0.1400000    
 N  -2.3800001E-02  -1.059300      0.1804000    
 N   -2.086700      -2.254700      6.1200000E-02
 N   -4.113200      -1.165900     -0.1555000    
 C    3.328300     -0.1265000     -0.7551000    
 C    1.404100      -1.008500      0.2975000    
 C    2.105000     -0.9633000      -1.050500    
 C    2.829300      0.8538000      0.2972000    
 C    2.240000       2.122100     -0.3062000    
 C  -0.7021000      0.1321000      7.0500001E-02
 C  -0.7098000      -2.283300      0.1770000    
 C   -2.031800      0.1944000     -4.3499999E-02
 C   -2.740600      -1.125400     -4.3600000E-02
 C   -2.797600       1.470000     -0.1647000    
 C   -2.602100       3.810300     -0.2535000    
 H    3.741900      0.3650000      -1.640600    
 H    1.762800      -1.865500      0.8799000    
 H    1.485400     -0.4585000      -1.801500    
 H    2.328800      -1.968900      -1.420400    
 H    3.603600       1.108400       1.029400    
 H    1.407800       1.929600     -0.9868000    
 H    3.012400       2.661300     -0.8654000    
 H  -0.1265000       1.040100      8.6499996E-02
 H    4.602200      -1.599000     -0.8839000    
 H    1.434200       3.769000      0.3324000    
 H   -3.503000       1.556600      0.6699000    
 H   -3.354400       1.476700      -1.109100    
 H   -4.680300     -0.3296000     -0.2400000    
 H   -4.604700      -2.053300     -0.1568000    
 H   -3.144500       3.859800      -1.202700    
 H   -1.867400       4.619500     -0.2284000    
 H   -3.293900       3.939900      0.5843000    


%chk=000125384-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125384

0 1
O 1.879718 0.141905 1.261324
O 4.607984 -0.378272 0.102948
O 0.825718 2.670837 0.110064
O 0.088908 -3.215934 -0.563085
O -1.931992 2.621766 -0.373770
N 0.011952 -1.047957 0.315222
N -1.883626 -1.959711 -0.874811
N -3.794583 -0.705165 -1.214070
C 3.338241 -0.139256 -0.597503
C 1.480948 -1.131331 0.686379
C 2.379528 -1.363022 -0.564143
C 2.586679 0.934774 0.209533
C 1.640974 1.767304 -0.689610
C -0.711951 0.060803 0.651176
C -0.596641 -2.163629 -0.403234
C -2.006505 0.261201 0.189544
C -2.548971 -0.805331 -0.634519
C -2.642955 1.594077 0.455232
C -2.477940 3.974233 -0.172137
H 3.535190 0.184268 -1.641111
H 1.593881 -1.907921 1.458175
H 1.767860 -1.418414 -1.478737
H 2.922050 -2.317887 -0.480476
H 3.275326 1.591895 0.762164
H 1.012859 1.097411 -1.314424
H 2.285639 2.360234 -1.373361
H -0.177159 0.804070 1.250840
H 5.042925 -1.181982 -0.279099
H -0.141818 2.632708 -0.165831
H -2.541570 1.887951 1.520832
H -3.722293 1.621476 0.199032
H -4.375620 0.122895 -1.129175
H -4.109730 -1.494716 -1.775636
H -3.534681 4.023005 -0.502006
H -1.865868 4.648282 -0.790312
H -2.408078 4.280534 0.891285


