%chk=000129284.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129284

0 1
 O   -2.086300      -3.353400     -2.4999999E-03
 N   0.7602000      0.5100000      1.5900001E-02
 N   -1.490600       2.142800      6.3999998E-03
 N    8.165500      0.7644000     -3.5999999E-03
 C    3.190600      0.6134000       0.000000    
 C    4.482900     -0.2038000     -5.5000000E-03
 C    1.961600     -0.2901000      2.1199999E-02
 C    5.715600      0.7026000      1.2700000E-02
 C  -0.5192000     -2.2900000E-02  8.8000000E-03
 C   -1.657300      0.8068000      4.0000002E-03
 C   -2.938500      0.2165000     -3.1999999E-03
 C    7.004200     -0.1169000     -3.0099999E-02
 C  -0.6845000      -1.425500      6.3000000E-03
 C   -4.055100       1.063400     -7.8999996E-03
 C   -3.075500      -1.182000     -5.5000000E-03
 C   -1.949500      -2.000000     -6.9999998E-04
 C   -3.886400       2.440500     -5.4000001E-03
 C   -5.455800      0.5371000     -1.5600000E-02
 C   -2.594200       2.925200      1.8000000E-03
 C  -0.8877000      -4.128100      2.7000001E-03
 H    3.159400       1.261200     -0.8853000    
 H    3.175400       1.275600      0.8750000    
 H    4.504100     -0.8667000      0.8681000    
 H    4.508300     -0.8424000     -0.8969000    
 H    1.996400     -0.9172000      0.9202000    
 H    1.989300     -0.9405000     -0.8615000    
 H    5.697000       1.323600      0.9173000    
 H    5.680000       1.383600     -0.8471000    
 H   0.8435000       1.520900      2.1400001E-02
 H    7.039000     -0.7276000     -0.9386000    
 H    7.052500     -0.7980000      0.8262000    
 H   0.2060000      -2.041800      1.1700000E-02
 H   -4.052900      -1.658300     -1.0900000E-02
 H   -4.726300       3.126400     -8.8000000E-03
 H   -5.636300     -6.5099999E-02 -0.9123000    
 H   -5.645400     -6.6900000E-02  0.8780000    
 H   -6.196400       1.345000     -1.8500000E-02
 H   -2.400500       3.992800      4.1999999E-03
 H    8.136200       1.344200      0.8344000    
 H    8.123500       1.409900     -0.7915000    
 H  -0.3060000      -3.965500      0.9165000    
 H  -0.2965000      -3.963100     -0.9046000    
 H   -1.185800      -5.181800     -9.9999997E-05


%chk=000129284-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129284

0 1
O -2.346721 -3.463334 -0.008052
N 0.740956 0.400123 0.003997
N -1.368858 2.066876 0.005907
N 8.338654 0.961365 -0.001196
C 3.203407 0.635406 0.001049
C 4.559107 -0.104087 0.003652
C 2.004078 -0.332514 0.005897
C 5.772561 0.853076 -0.000306
C -0.505681 -0.184496 0.001527
C -1.650053 0.714206 0.002042
C -2.988421 0.171139 -0.001200
C 7.135001 0.106480 0.002538
C -0.720561 -1.580295 -0.001431
C -4.082810 1.120576 -0.000624
C -3.175789 -1.241683 -0.004718
C -2.054531 -2.086554 -0.004699
C -3.770187 2.486900 0.003122
C -5.517920 0.640844 -0.003931
C -2.409777 2.922285 0.006406
C -1.228945 -4.407686 -0.008601
H 3.140062 1.289594 -0.892151
H 3.141179 1.297272 0.888732
H 4.616775 -0.764053 0.894619
H 4.616361 -0.770961 -0.882173
H 2.066827 -0.992146 0.900526
H 2.064747 -0.998437 -0.884048
H 5.725040 1.519518 0.886452
H 5.724905 1.512424 -0.892342
H 0.723030 1.426817 0.008133
H 7.186364 -0.560506 -0.880590
H 7.186684 -0.553201 0.891119
H 0.134355 -2.259998 -0.000896
H -4.171546 -1.690301 -0.007313
H -4.570060 3.235504 0.003657
H -5.729387 0.018339 -0.894272
H -5.731974 0.013885 0.882658
H -6.222448 1.489272 -0.002818
H -2.168458 3.991476 0.009525
H 8.448693 1.531069 0.843877
H 8.448352 1.524168 -0.850927
H -0.602295 -4.295730 0.897763
H -0.599181 -4.290961 -0.912197
H -1.697036 -5.403371 -0.012013


