%chk=000002397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002397

0 1
 O    1.939700      -3.920900       1.211400    
 O    4.830000     -0.5161000       2.216400    
 N   -5.521000       1.707700      0.8579000    
 N   -1.679200      -1.348600      5.7500001E-02
 N    3.640300      -2.479200       1.862200    
 N    1.988100       3.001800       1.296300    
 C   -5.016300      0.3276000      0.8490000    
 C   -5.918900     -0.3550000     -0.1811000    
 C   -7.200600      0.4707000     -0.2037000    
 C   -3.544900      0.2241000      0.4681000    
 C   -6.979400       1.576100      0.8151000    
 C   -3.089900      -1.231100      0.4115000    
 C   -5.087900       2.473300       2.020700    
 C   -1.192900      -1.454400      -1.218500    
 C  -0.6668000      -1.365300      0.9689000    
 C   0.5143000      -1.485300      0.2735000    
 C   0.1968000      -1.542800      -1.112500    
 C    1.807000      -1.538300      0.8825000    
 C   -1.859500      -1.479300      -2.448800    
 C    2.651600     -0.5364000       1.188300    
 C   0.9606000      -1.661900      -2.290500    
 C    2.516700      0.8690000      0.9614000    
 C    2.434800      -2.811700       1.319200    
 C   -1.081100      -1.598100      -3.603600    
 C   0.3074000      -1.688100      -3.528100    
 C    3.853700      -1.133200       1.824700    
 C    2.931300       1.618000     -0.1777000    
 C    1.940300       1.750400       1.849600    
 C    2.588200       2.951100      5.8300000E-02
 C    3.567700       1.286000      -1.390200    
 C    2.850800       3.972700     -0.8613000    
 C    3.836700       2.297600      -2.319500    
 C    3.482900       3.619500      -2.057000    
 H   -5.181900     -0.1438000       1.828500    
 H   -6.127500      -1.393300      9.9600002E-02
 H   -5.477400     -0.3614000      -1.185100    
 H   -7.352200      0.8913000      -1.204900    
 H   -8.078900     -0.1345000      4.2300001E-02
 H   -3.366100      0.7088000     -0.5009000    
 H   -2.926700      0.7625000       1.197000    
 H   -7.468100       2.507100      0.5106000    
 H   -7.387400       1.269600       1.787000    
 H   -3.660100      -1.821600     -0.3124000    
 H   -3.217500      -1.713500       1.388400    
 H   -5.534600       3.473800       2.003700    
 H   -4.003000       2.618200       2.013300    
 H   -5.365200       1.991900       2.965400    
 H  -0.8632000      -1.289000       2.030800    
 H   -2.939500      -1.405600      -2.519300    
 H    2.043700      -1.734500      -2.249400    
 H   -1.567700      -1.619200      -4.575500    
 H   0.8915000      -1.779600      -4.439900    
 H    4.296200      -3.149500       2.246900    
 H    1.499100       1.602100       2.825900    
 H    1.634100       3.841800       1.732700    
 H    3.851300      0.2607000      -1.610100    
 H    2.575600       5.002100     -0.6580000    
 H    4.327400       2.047100      -3.256300    
 H    3.701200       4.389200      -2.792900    


%chk=000002397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002397

0 1
O 0.924904 -2.786097 2.600451
O 5.007249 -0.643912 1.805006
N -6.402826 0.907862 1.591287
N -2.038457 -1.087236 0.086239
N 3.115100 -1.909845 2.428258
N 2.601413 2.945227 -0.980512
C -5.702064 -0.311936 1.094795
C -6.548209 -0.757830 -0.141979
C -7.884126 0.047737 -0.051424
C -4.219647 -0.032444 0.773272
C -7.849564 0.667984 1.361633
C -3.455297 -1.326038 0.405358
C -6.075256 1.299518 2.971836
C -1.540834 -0.634065 -1.151911
C -0.975312 -1.233604 0.965411
C 0.237934 -0.871589 0.341871
C -0.112403 -0.500536 -1.030682
C 1.534554 -0.963741 0.990261
C -2.232954 -0.382143 -2.354868
C 2.741444 -0.282540 0.785996
C 0.632387 -0.139205 -2.184165
C 3.005850 0.921184 0.009221
C 1.752384 -1.989835 2.080758
C -1.468608 -0.000676 -3.477504
C -0.051828 0.110022 -3.392180
C 3.785017 -0.912052 1.677413
C 4.233983 1.371141 -0.656861
C 2.044618 1.923124 -0.225365
C 3.939510 2.637100 -1.275311
C 5.537441 0.831195 -0.821986
C 4.881444 3.364435 -2.033601
C 6.483219 1.546654 -1.582147
C 6.163968 2.799796 -2.181431
H -5.747466 -1.122513 1.873954
H -6.726755 -1.847287 -0.121940
H -6.016669 -0.526947 -1.083773
H -7.899863 0.848098 -0.810611
H -8.774382 -0.586316 -0.204675
H -4.169373 0.694965 -0.058332
H -3.719051 0.433505 1.643592
H -8.415754 1.613666 1.435969
H -8.276219 -0.048165 2.111854
H -3.929052 -1.818933 -0.463920
H -3.496387 -2.041249 1.247375
H -6.638045 2.211012 3.240647
H -5.000834 1.534091 3.064763
H -6.323723 0.504935 3.721877
H -1.121729 -1.604828 1.976935
H -3.320945 -0.485936 -2.426348
H 1.722270 -0.068918 -2.144858
H -1.971038 0.201079 -4.429988
H 0.518486 0.387486 -4.285485
H 3.568148 -2.498253 3.126823
H 1.011874 1.964184 0.111957
H 2.109812 3.782863 -1.284852
H 5.808285 -0.109241 -0.337946
H 4.630053 4.327358 -2.492157
H 7.491252 1.136593 -1.708306
H 6.925667 3.331695 -2.762294


