%chk=000080411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080411

0 1
 O   -3.049600       2.309700      -1.228900    
 O    3.267600       2.029200      -1.116400    
 N   -3.987500       2.472600       1.419200    
 N    5.130000      0.8818000      0.6540000    
 C  -7.3100001E-02  -1.454100     -0.1064000    
 C  -0.2655000      -2.757900      0.7485000    
 C  -0.1623000      -1.929700      -1.602000    
 C   -1.554300      -3.519800      0.4343000    
 C   -1.411000      -2.749800      -1.948800    
 C   -1.593600      -3.943400      -1.025300    
 C   -1.129300     -0.3927000      0.3012000    
 C    1.333300     -0.8194000      9.6100003E-02
 C   -1.625500      0.4954000     -0.6511000    
 C    1.681900      0.3328000     -0.6048000    
 C   -1.578900     -0.3308000       1.618900    
 C    2.238100      -1.405800      0.9780000    
 C   -2.575100       1.449100     -0.2844000    
 C    2.942500      0.9017000     -0.4228000    
 C   -2.528400      0.6227000       1.985600    
 C    3.498400     -0.8370000       1.160100    
 C   -3.026600       1.512600       1.034000    
 C    3.850700      0.3168000      0.4599000    
 C   -2.344700       3.537500      -1.398500    
 C    2.963000       3.278500     -0.5004000    
 H  -0.1956000      -2.591600       1.827800    
 H   0.5532000      -3.456800      0.5190000    
 H   0.7117000      -2.563900      -1.814700    
 H  -7.8000002E-02  -1.100000      -2.312300    
 H   -2.435500      -2.914400      0.6724000    
 H   -1.608500      -4.413300       1.067500    
 H   -1.338900      -3.099500      -2.985300    
 H   -2.299500      -2.109800      -1.896800    
 H  -0.8013000      -4.677600      -1.216400    
 H   -2.545700      -4.440000      -1.243500    
 H   -1.300700      0.4777000      -1.685400    
 H    1.004300      0.7999000      -1.311600    
 H   -1.201700     -0.9713000       2.406500    
 H    2.021300      -2.294400       1.558400    
 H   -2.866500      0.6674000       3.017800    
 H    4.196700      -1.300800       1.852400    
 H   -4.365800       3.111000      0.7322000    
 H   -4.311700       2.509700       2.376400    
 H    5.399000       1.709400      0.1390000    
 H    5.783200      0.4499000       1.293900    
 H   -2.333200       4.112200     -0.4672000    
 H   -2.858500       4.124300      -2.164800    
 H   -1.319900       3.346400      -1.733000    
 H    3.468400       3.370800      0.4660000    
 H    1.881400       3.385100     -0.3693000    
 H    3.315500       4.078900      -1.156700    


%chk=000080411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080411

0 1
O -2.764850 2.731934 -1.394591
O 3.361578 2.272035 1.000576
N -3.726498 3.006412 1.081121
N 5.376471 0.792809 0.053887
C -0.048243 -1.364653 -0.103079
C -0.090322 -2.542899 0.935262
C -0.372326 -1.997475 -1.503269
C -1.419109 -3.337954 0.929841
C -1.725446 -2.745014 -1.528150
C -1.744541 -3.883243 -0.480810
C -1.074324 -0.253368 0.237278
C 1.395060 -0.777847 -0.104034
C -1.456506 0.691955 -0.758697
C 1.677678 0.505814 0.440386
C -1.595311 -0.058137 1.537906
C 2.494004 -1.533666 -0.585589
C -2.328004 1.753798 -0.467431
C 2.990609 1.006034 0.482062
C -2.471116 1.010798 1.841030
C 3.814832 -1.035128 -0.544442
C -2.863906 1.938434 0.846768
C 4.095861 0.246890 -0.011377
C -2.287794 2.613669 -2.770415
C 2.294374 3.112370 1.539572
H 0.138883 -2.164698 1.949624
H 0.738319 -3.233098 0.681361
H 0.426063 -2.721787 -1.755631
H -0.337713 -1.225150 -2.293949
H -2.249265 -2.687034 1.264700
H -1.351237 -4.172729 1.655545
H -1.904665 -3.156226 -2.541456
H -2.548107 -2.033906 -1.316921
H -0.990621 -4.648598 -0.762051
H -2.730111 -4.388646 -0.478110
H -1.047599 0.597807 -1.768807
H 0.852427 1.108272 0.828595
H -1.316917 -0.738646 2.348042
H 2.335794 -2.535276 -1.000778
H -2.858345 1.125174 2.861058
H 4.641526 -1.646090 -0.928049
H -3.969185 3.618265 0.307151
H -4.146689 3.149956 1.993197
H 5.493292 1.716901 0.459358
H 6.183547 0.278288 -0.281626
H -1.184635 2.698283 -2.822635
H -2.749825 3.450921 -3.314955
H -2.604340 1.653414 -3.222795
H 1.785828 2.618921 2.390690
H 1.544821 3.359038 0.762466
H 2.790385 4.032377 1.884471


