%chk=000055143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055143

0 1
 O  -0.4439000     -0.2653000     -2.8200001E-02
 O   -3.106700       2.808800      0.1271000    
 N   -2.164800      -1.822500     -4.4500001E-02
 C   -1.813700     -0.5026000     -7.6000001E-03
 C   8.2999999E-03   1.029200      5.4000001E-03
 C  -0.8455000       2.128400      5.9700001E-02
 C   -1.158100      -2.873400     -0.1006000    
 C   -3.531400      -2.251900      0.2189000    
 C    1.390000       1.221600     -1.6700000E-02
 C   -2.724900      0.4832000      4.4300001E-02
 C   -2.295800       1.894400      8.2000002E-02
 C    2.308000      0.1004000     -7.2099999E-02
 C  -0.3286000       3.425700      9.1899998E-02
 C    1.911300       2.515400      1.5500000E-02
 C  -0.7514000      -3.282500       1.302000    
 C   -4.332200      -2.264700      -1.069000    
 C    1.053700       3.614900      6.9700003E-02
 C    2.771600     -0.4761000       1.108600    
 C    2.722900     -0.3972000      -1.305600    
 C    3.654300      -1.554900       1.055600    
 C    3.605600      -1.476000      -1.358600    
 C    4.071200      -2.054800     -0.1778000    
 H   -1.563400      -3.746700     -0.6270000    
 H  -0.2773000      -2.569100     -0.6789000    
 H   -3.542100      -3.269600      0.6294000    
 H   -4.022100      -1.638400      0.9839000    
 H   -3.796600      0.3292000      5.7399999E-02
 H  -0.9811000       4.293100      0.1343000    
 H    2.985300       2.687100     -8.9999998E-04
 H  -0.3205000      -2.440100       1.853600    
 H   -1.600700      -3.659100       1.880500    
 H   2.0999999E-03  -4.075500       1.259000    
 H   -4.393600      -1.276400      -1.533400    
 H   -3.883100      -2.944400      -1.801500    
 H   -5.353400      -2.608000     -0.8747000    
 H    1.463300       4.620700      9.4599999E-02
 H    2.455000     -9.9299997E-02   2.078200    
 H    2.368400      4.1999999E-02  -2.235100    
 H    4.016200      -2.006200       1.974900    
 H    3.929900      -1.865900      -2.319000    
 H    4.758100      -2.895100     -0.2192000    


%chk=000055143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055143

0 1
O -0.534860 -0.253639 -0.010710
O -3.192884 2.974318 0.094600
N -2.222396 -1.808432 -0.060414
C -1.921640 -0.465520 -0.031657
C -0.025790 1.067151 0.067359
C -0.903695 2.174723 0.133898
C -1.169668 -2.854450 -0.110968
C -3.632626 -2.251135 0.007342
C 1.389637 1.198921 0.121041
C -2.822689 0.598037 -0.020510
C -2.389118 1.977261 0.070249
C 2.326465 0.039468 0.032233
C -0.352213 3.472296 0.266560
C 1.896092 2.515146 0.270207
C -0.709346 -3.315534 1.288643
C -4.324350 -2.295175 -1.373417
C 1.041417 3.641633 0.343013
C 3.414450 -0.064334 0.940957
C 2.195140 -0.949836 -0.980109
C 4.340428 -1.126416 0.845488
C 3.123202 -2.008421 -1.079741
C 4.199186 -2.104047 -0.165962
H -1.585033 -3.707151 -0.680683
H -0.305825 -2.467259 -0.673210
H -3.638311 -3.257408 0.464811
H -4.187823 -1.588552 0.696397
H -3.896720 0.417220 -0.080423
H -1.052946 4.312609 0.308470
H 2.982664 2.653161 0.299222
H -0.248779 -2.476834 1.837146
H -1.554829 -3.704102 1.885497
H 0.043510 -4.119489 1.194733
H -4.337978 -1.296322 -1.842140
H -3.799421 -2.987296 -2.056173
H -5.368405 -2.642331 -1.267975
H 1.472062 4.642776 0.447420
H 3.519530 0.680180 1.738591
H 1.377969 -0.870904 -1.704869
H 5.167594 -1.192118 1.561179
H 3.013757 -2.752890 -1.876685
H 4.918542 -2.926905 -0.243311


