%chk=000029071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029071

0 1
 O   0.8103000      -1.726700     -0.4922000    
 O   0.3449000     -0.7524000      -2.514500    
 O   -3.095700     -0.9607000       2.352600    
 O   -4.296300       1.151400      -1.775000    
 O   -4.921500      0.4663000      0.8347000    
 N    4.044400       2.087800      0.8178000    
 C    2.633800     -0.1022000     -0.5429000    
 C    4.168300      4.2399999E-02 -0.6084000    
 C    2.215900      -1.579400     -0.6632000    
 C    4.874700     -0.8749000      0.4083000    
 C    2.073600      0.5909000      0.7129000    
 C    4.579900       1.514500     -0.4248000    
 C    2.928200      -2.482600      0.3416000    
 C    4.441600      -2.330700      0.2555000    
 C    2.577200       2.031800      0.8298000    
 C    4.504900       3.465900      0.9862000    
 C   1.5600000E-02  -1.026700      -1.365100    
 C   -1.274200     -0.6352000     -0.7899000    
 C   -2.181500      7.9499997E-02  -1.561800    
 C   -1.575400     -0.9853000      0.5204000    
 C   -2.803700     -0.6147000       1.067600    
 C   -3.409900      0.4502000      -1.014400    
 C   -3.721000      0.1032000      0.3003000    
 C   -2.724700     -3.6100000E-02   3.373100    
 C   -4.207000       2.574100      -1.728400    
 C   -6.002400     -0.4505000      0.6799000    
 H    2.227800      0.4486000      -1.401900    
 H    4.495200     -0.2679000      -1.610900    
 H    2.477000      -1.941200      -1.667800    
 H    5.960700     -0.8091000      0.2698000    
 H    4.672300     -0.5485000       1.435300    
 H   0.9805000      0.6153000      0.6898000    
 H    2.352600      3.9500002E-02   1.618500    
 H    5.675700       1.572900     -0.4180000    
 H    4.236600       2.094600      -1.292300    
 H    2.583400      -2.264400       1.359900    
 H    2.648100      -3.527400      0.1589000    
 H    4.918000      -2.940000       1.031700    
 H    4.792400      -2.715100     -0.7103000    
 H    2.198200       2.448400       1.771100    
 H    2.155200       2.635400      1.5200000E-02
 H    4.143500       3.879100       1.934400    
 H    5.599300       3.503700       1.025200    
 H    4.165800       4.118900      0.1737000    
 H   -1.952300      0.3557000      -2.587800    
 H  -0.8829000      -1.544500       1.143600    
 H   -3.027200     -0.4514000       4.338200    
 H   -1.640200      0.1123000       3.380000    
 H   -3.234200      0.9218000       3.229000    
 H   -4.374300       2.937800     -0.7096000    
 H   -3.230100       2.908900      -2.091400    
 H   -4.982500       2.987600      -2.378900    
 H   -6.221300     -0.6128000     -0.3801000    
 H   -6.887100     -2.0300001E-02   1.157200    
 H   -5.771900      -1.403800       1.165900    


%chk=000029071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029071

0 1
O 0.820776 -0.859294 -0.055902
O 0.294471 -0.151620 -2.219440
O -3.386297 -0.863626 2.586495
O -4.774381 0.658216 -1.923348
O -5.485243 -0.032083 0.788450
N 5.158647 1.993801 0.686841
C 3.025761 0.283855 -0.390954
C 4.528051 0.021705 -0.729129
C 2.253170 -1.053817 -0.465949
C 5.139529 -1.088558 0.163373
C 2.885984 1.020192 0.964000
C 5.315058 1.350645 -0.638937
C 2.822377 -2.147064 0.446596
C 4.312385 -2.394761 0.100483
C 3.735982 2.304363 0.965399
C 6.028436 3.175288 0.835634
C -0.060101 -0.407161 -1.039159
C -1.455612 -0.281038 -0.524424
C -2.458125 0.155559 -1.425503
C -1.785092 -0.569786 0.821811
C -3.120455 -0.464292 1.265787
C -3.787739 0.272219 -0.986003
C -4.143660 -0.074383 0.351803
C -4.153862 0.073358 3.437062
C -5.470577 1.928058 -1.608947
C -6.366759 -1.035981 0.136607
H 2.616214 0.950397 -1.178311
H 4.584086 -0.321323 -1.785455
H 2.245609 -1.394845 -1.520650
H 6.178281 -1.287527 -0.167325
H 5.206386 -0.723598 1.205120
H 1.824998 1.274723 1.143882
H 3.216861 0.378805 1.800752
H 6.392644 1.158558 -0.806949
H 4.966885 2.034875 -1.460046
H 2.722929 -1.842617 1.505456
H 2.233456 -3.073871 0.318149
H 4.732917 -3.148440 0.793037
H 4.382057 -2.826824 -0.919722
H 3.674004 2.800042 1.952665
H 3.323030 3.022519 0.205172
H 5.924800 3.588976 1.855101
H 7.084202 2.883440 0.689663
H 5.793576 3.993583 0.106607
H -2.200633 0.399903 -2.459828
H -1.016710 -0.896652 1.525586
H -4.244995 -0.436104 4.408302
H -3.592594 1.019611 3.561289
H -5.148116 0.273772 3.005677
H -5.976250 1.870207 -0.628406
H -4.749010 2.766686 -1.613906
H -6.206738 2.063118 -2.415778
H -6.363005 -0.898586 -0.958986
H -7.370918 -0.853219 0.548097
H -6.028392 -2.055405 0.396659


