%chk=000046140.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046140

0 1
 O    3.103200      0.6177000      0.2732000    
 O   -4.549900       1.110800     -0.7581000    
 O    1.625900     -0.9362000     -0.5226000    
 N    6.587200     -0.6091000      0.4000000    
 N   0.9335000       1.203100      0.1424000    
 C    7.703400     -0.2120000       1.269600    
 C    7.011800     -0.6927000      -1.004500    
 C    8.861400      -1.206300       1.170100    
 C    8.147200      -1.702600      -1.178400    
 C    9.327300      -1.371900     -0.2718000    
 C    5.470600      0.3249000      0.5420000    
 C    4.168400     -0.3243000      0.1012000    
 C   -7.382800      -1.246700     -2.8100001E-02
 C   -8.847600      -1.070400      0.3819000    
 C   -6.635200      7.5199999E-02 -0.1954000    
 C   -9.589000      -2.394100      0.5731000    
 C   -5.194400     -0.1495000     -0.6346000    
 C    1.853600      0.1837000     -8.1500001E-02
 C  -0.4461000       1.194600     -7.8699999E-02
 C   -11.05510      -2.164700      0.9081000    
 C   -3.197900       1.138700     -0.5341000    
 C   -1.223000       2.318000      0.2049000    
 C   -2.598800       2.290000     -2.2900000E-02
 C   -1.044900      4.3400001E-02 -0.5905000    
 C   -2.420800      1.5300000E-02 -0.8180000    
 C  -0.6080000       3.565000      0.7526000    
 H    8.057800      0.7952000       1.013500    
 H    7.371800     -0.1856000       2.314900    
 H    6.187700      -1.020700      -1.646300    
 H    7.338400      0.2889000      -1.372900    
 H    9.697000     -0.8648000       1.791600    
 H    8.545100      -2.179700       1.566100    
 H    7.780600      -2.711100     -0.9484000    
 H    8.476800      -1.713100      -2.223600    
 H    10.08340      -2.162200     -0.3347000    
 H    9.801700     -0.4434000     -0.6122000    
 H    5.341400      0.6128000       1.594500    
 H    5.642300       1.266200      3.4000000E-03
 H    4.199400     -0.6126000     -0.9544000    
 H    3.962200      -1.213100      0.7101000    
 H   -7.341900      -1.807800     -0.9699000    
 H   -6.872000      -1.857800      0.7265000    
 H   -8.893400     -0.4934000       1.313900    
 H   -9.360400     -0.4748000     -0.3838000    
 H   -6.648200      0.6384000      0.7460000    
 H   -7.145600      0.7085000     -0.9315000    
 H   -9.117400      -2.970700       1.377000    
 H   -9.519300      -2.994000     -0.3416000    
 H   -5.172100     -0.6605000      -1.604200    
 H   -4.708500     -0.7803000      0.1213000    
 H   -11.16040      -1.589300       1.833300    
 H   -11.56100      -1.619900      0.1046000    
 H   -11.56690      -3.122700       1.043400    
 H    1.331000       2.060200      0.5156000    
 H   -3.214700       3.159300      0.1944000    
 H  -0.5138000     -0.8634000     -0.8423000    
 H   -2.844500     -0.8899000      -1.243100    
 H   -1.356200       4.348100      0.9179000    
 H   0.1318000       3.968900      5.3399999E-02
 H  -0.1304000       3.367100       1.718000    


%chk=000046140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046140

0 1
O 3.263299 0.598215 0.262576
O -4.606876 0.910423 0.218332
O 1.768562 -1.194736 -0.069551
N 6.868262 -0.394833 0.185379
N 1.050754 1.043589 0.280927
C 8.022835 0.073614 0.994057
C 7.255839 -0.631853 -1.229414
C 9.168157 -0.959287 0.967638
C 8.377706 -1.685515 -1.327849
C 9.602142 -1.260153 -0.485239
C 5.672782 0.469953 0.317960
C 4.393425 -0.361586 0.157834
C -7.726002 -1.279677 0.044631
C -9.236860 -0.962510 0.117967
C -6.841089 -0.016062 0.143644
C -10.126663 -2.223929 0.041012
C -5.350477 -0.352739 0.065889
C 1.977204 0.027552 0.136560
C -0.371429 0.943747 0.246170
C -11.635111 -1.902619 0.114967
C -3.202341 0.840830 0.211912
C -1.125437 2.148992 0.420548
C -2.531170 2.073673 0.399721
C -1.039766 -0.288250 0.053195
C -2.449994 -0.343823 0.035765
C -0.432532 3.486151 0.627051
H 8.411499 1.058058 0.618198
H 7.678482 0.229405 2.033441
H 6.368027 -0.974117 -1.791937
H 7.604084 0.322043 -1.710144
H 10.021447 -0.576753 1.560379
H 8.814382 -1.891925 1.448110
H 7.989947 -2.653688 -0.956726
H 8.661721 -1.821035 -2.389310
H 10.377667 -2.048994 -0.502878
H 10.056179 -0.349813 -0.929584
H 5.668899 0.924508 1.325455
H 5.664479 1.309779 -0.418689
H 4.338920 -0.874538 -0.819014
H 4.310039 -1.120647 0.954397
H -7.512006 -1.812827 -0.905555
H -7.462185 -1.982258 0.862906
H -9.452477 -0.419457 1.061746
H -9.508391 -0.271632 -0.707194
H -7.037737 0.509613 1.097907
H -7.094145 0.690107 -0.670370
H -9.853250 -2.912857 0.866286
H -9.908955 -2.766743 -0.901666
H -5.098632 -0.818895 -0.910357
H -5.060597 -1.054688 0.876634
H -11.886108 -1.392852 1.064346
H -11.939302 -1.235387 -0.713598
H -12.248431 -2.820284 0.052068
H 1.455589 1.967350 0.440590
H -3.134808 2.977487 0.532129
H -0.451014 -1.197942 -0.082216
H -2.937204 -1.311040 -0.115444
H -1.172296 4.295160 0.739358
H 0.216125 3.755442 -0.230791
H 0.196536 3.492951 1.540242


