%chk=000004627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004627

1 1
 O   -4.510200     -0.8585000       1.375200    
 O   0.4145000      -1.343300     -0.9348000    
 O    1.399000      -2.314200      0.9070000    
 O    3.782500      -3.145000     -0.8060000    
 N   -2.861500      0.8978000     -8.5800000E-02
 C   -2.249100      0.2754000       1.209000    
 C   -3.255800     -0.4403000     -0.7881000    
 C   -3.098800     -0.9347000       1.570000    
 C   -3.740500      -1.390500      0.2978000    
 C  -0.8400000     -0.2495000      0.8457000    
 C   -1.962600      -1.047600      -1.381400    
 C  -0.8647000      -1.278800     -0.3132000    
 C   -1.816300       1.686700     -0.8952000    
 C   -3.996600       1.902900      0.1270000    
 C   -2.466200       2.237300      -2.145700    
 C    1.467800      -1.631800     -0.1073000    
 C    2.737100     -0.9705000     -0.6366000    
 C    3.966000      -1.826800     -0.2987000    
 C    2.866100      0.4542000     -0.1210000    
 C    2.312300       1.483700     -0.8557000    
 C    3.533400      0.6775000       1.066700    
 C    2.430900       2.790700     -0.3830000    
 C    3.651900       1.984400       1.539500    
 C    3.100700       3.041000      0.8145000    
 H   -2.230600       1.044200       1.987300    
 H   -4.020800     -0.2366000      -1.542800    
 H   -2.694100      -1.637500       2.279000    
 H   -3.818500      -2.436000      5.0400000E-02
 H  -0.1455000      0.5754000      0.6574000    
 H  -0.4260000     -0.7397000       1.737500    
 H   -2.203700      -2.027200      -1.819100    
 H   -1.585800     -0.4823000      -2.240600    
 H   -1.063100      -2.269400      0.1211000    
 H   -1.465200       2.505300     -0.2543000    
 H  -0.9397000       1.106200      -1.171100    
 H   -3.578500       2.865300      0.4366000    
 H   -4.596900       1.975100     -0.7832000    
 H   -4.634000       1.530600      0.9320000    
 H   -1.681800       2.617200      -2.811300    
 H   -3.024600       1.489000      -2.714400    
 H   -3.117000       3.094500      -1.947600    
 H    2.661700     -0.9642000      -1.733600    
 H    4.144600      -1.942100      0.7738000    
 H    4.871100      -1.410900     -0.7540000    
 H    1.787000       1.297400      -1.787600    
 H    3.951400     -0.1131000       1.677500    
 H    3.096400      -3.578700     -0.2712000    
 H    1.999800       3.613000     -0.9466000    
 H    4.167200       2.179400       2.475500    
 H    3.191000       4.058400       1.183700    


%chk=000004627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004627

1 1
O -4.825265 -1.170912 1.111341
O 0.434406 -0.848830 -0.746420
O 1.391392 -2.154586 0.924496
O 3.658804 -3.348932 -0.587857
N -3.152098 0.791441 0.059928
C -2.576454 0.109948 1.357044
C -3.297998 -0.465995 -0.868461
C -3.357830 -1.208530 1.456328
C -3.805514 -1.565096 0.075513
C -1.098919 -0.272522 1.117210
C -1.892456 -0.901687 -1.344165
C -0.901081 -1.150826 -0.166309
C -2.197715 1.880071 -0.504470
C -4.497245 1.484937 0.338143
C -2.702677 2.553808 -1.786879
C 1.541595 -1.418806 -0.077985
C 2.850875 -0.994557 -0.723074
C 3.988368 -1.960323 -0.278551
C 3.172132 0.465608 -0.382435
C 3.501665 1.382589 -1.410725
C 3.202174 0.901874 0.968717
C 3.857248 2.713984 -1.096818
C 3.552335 2.234102 1.281935
C 3.881693 3.144129 0.250082
H -2.713947 0.805368 2.201021
H -3.975953 -0.215926 -1.699225
H -3.069719 -1.929866 2.225398
H -3.891294 -2.585123 -0.308533
H -0.460383 0.625053 1.057210
H -0.737091 -0.840995 1.991881
H -2.001056 -1.832745 -1.928434
H -1.460674 -0.163129 -2.039120
H -0.906495 -2.214578 0.129694
H -2.083472 2.614838 0.312293
H -1.216002 1.425864 -0.685379
H -4.290612 2.414418 0.891707
H -4.975224 1.719495 -0.623691
H -5.141849 0.813784 0.915304
H -1.907535 3.232557 -2.142020
H -2.893335 1.830699 -2.598941
H -3.605541 3.165462 -1.635348
H 2.721172 -1.090593 -1.816740
H 4.206873 -1.819665 0.798186
H 4.895546 -1.726225 -0.858050
H 3.492633 1.052421 -2.456441
H 2.967287 0.199185 1.778711
H 3.085771 -3.709016 0.135959
H 4.124215 3.409948 -1.899366
H 3.586557 2.558223 2.327935
H 4.166991 4.173055 0.493702


