%chk=000046999.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046999

0 1
 O   -1.500900       1.099800      0.4081000    
 O   -1.129800      -1.170300      0.3192000    
 N    2.780400      0.6830000     -0.1296000    
 C    4.745800      -1.491500     -7.4800000E-02
 C    4.989800     -0.1449000      0.6147000    
 C    3.239500      -1.747000     -0.1934000    
 C    4.217800      0.9815000     -7.5300001E-02
 C    2.525700     -0.5675000     -0.8570000    
 C    2.050400       1.791100     -0.7451000    
 C   0.5434000       1.502400     -0.8060000    
 C    5.437300      -2.625900      0.6766000    
 C    2.318000       3.063100      5.8200002E-02
 C  -0.1069000       1.336900      0.5648000    
 C   -1.876100     -0.2039000      0.2965000    
 C   -3.348100     -0.3153000      0.1374000    
 C   -3.862900      -1.372900     -0.5841000    
 C   -4.155600      0.6423000      0.7159000    
 C   -5.245800      -1.477100     -0.7338000    
 C   -5.538500      0.5380000      0.5663000    
 C   -6.083500     -0.5218000     -0.1585000    
 H    5.170700      -1.445500      -1.086500    
 H    6.061100      8.9400001E-02  0.6059000    
 H    4.685900     -0.2026000       1.668400    
 H    2.808800      -1.920200      0.8019000    
 H    3.060900      -2.656900     -0.7789000    
 H    4.429600       1.876600      0.5173000    
 H    4.625000       1.145800      -1.081600    
 H    2.840300     -0.4861000      -1.905600    
 H    1.468000     -0.8416000     -0.8480000    
 H    2.396400       1.956700      -1.774900    
 H   0.2959000      0.6638000      -1.465300    
 H   5.1399998E-02   2.352400      -1.301300    
 H    5.280500      -3.581600      0.1655000    
 H    6.516500      -2.450100      0.7362000    
 H    5.053000      -2.721000       1.697700    
 H    3.296600       3.496700     -0.1746000    
 H    1.585300       3.839100     -0.1944000    
 H    2.260100       2.901200       1.140700    
 H  -1.8500000E-02   2.258500       1.148500    
 H   0.3638000      0.5438000       1.156900    
 H   -3.220700      -2.120900      -1.039500    
 H   -3.757300       1.469100       1.296300    
 H   -5.670400      -2.301900      -1.298800    
 H   -6.191300       1.280100       1.016700    
 H   -7.160300     -0.6033000     -0.2744000    


%chk=000046999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046999

0 1
O -1.488858 1.056183 0.578817
O -1.088811 -1.098446 -0.226199
N 2.812603 0.742793 -0.111279
C 4.749248 -1.541186 -0.087535
C 5.013088 -0.203352 0.640456
C 3.219772 -1.734818 -0.197573
C 4.282864 0.971742 -0.039299
C 2.526247 -0.522961 -0.850816
C 2.083379 1.919409 -0.691546
C 0.547228 1.674183 -0.714921
C 5.434846 -2.729656 0.617165
C 2.407947 3.225013 0.077081
C -0.010875 1.279345 0.660251
C -1.897167 -0.192045 0.106794
C -3.384023 -0.314015 0.050785
C -3.936236 -1.541144 -0.400438
C -4.241688 0.752046 0.427945
C -5.335074 -1.700930 -0.473932
C -5.640958 0.587513 0.352201
C -6.189971 -0.636944 -0.098149
H 5.159346 -1.455859 -1.118446
H 6.099352 0.014296 0.671435
H 4.659650 -0.286304 1.687974
H 2.799011 -1.883926 0.817199
H 2.984065 -2.642374 -0.787385
H 4.474505 1.891923 0.537082
H 4.711442 1.125307 -1.067256
H 2.861470 -0.436523 -1.919302
H 1.439033 -0.705931 -0.855260
H 2.395651 2.068452 -1.761206
H 0.291247 0.885024 -1.442835
H 0.054760 2.601789 -1.061917
H 5.245186 -3.678380 0.080526
H 6.530410 -2.585918 0.677129
H 5.052110 -2.844659 1.649728
H 3.417296 3.607143 -0.151270
H 1.688310 4.014087 -0.206509
H 2.339767 3.065791 1.168625
H 0.087184 2.087586 1.400913
H 0.475182 0.364308 1.035444
H -3.253933 -2.348708 -0.685775
H -3.803114 1.691743 0.774558
H -5.759531 -2.648763 -0.822204
H -6.303393 1.410077 0.643037
H -7.277267 -0.761409 -0.155791


