%chk=000021591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021591

0 1
 O    1.649800     -0.6052000      0.2505000    
 O   0.6373000       1.365600      0.8937000    
 N    5.304100     -0.3738000     -0.1723000    
 C    3.977400     -0.9886000     -0.1456000    
 C    5.642400      0.1688000       1.142900    
 C    6.309600      -1.346500     -0.5980000    
 C    2.921700      2.9700000E-02  0.2545000    
 C    6.992300      0.8656000       1.118500    
 C    5.973900      -1.921300      -1.963700    
 C   -1.874800     -0.2150000      0.1907000    
 C   -2.007200       1.229600     -0.1385000    
 C   -3.038700      -1.128800      0.1410000    
 C  -0.6387000     -0.6516000      0.5146000    
 C   0.5888000      0.1848000      0.5916000    
 C   -2.305900       2.116900      0.8736000    
 C   -3.326900      -1.785300      -1.040700    
 C   -1.826800       1.633000      -1.444500    
 C   -3.806100      -1.301300       1.277400    
 C   -2.430400       3.471600      0.5651000    
 C   -4.423400      -2.646000      -1.087800    
 C   -1.951200       2.987600      -1.752900    
 C   -4.902800      -2.162100       1.230200    
 C   -2.253000       3.906800     -0.7480000    
 C   -5.211300      -2.834500      4.7600001E-02
 H    3.677800      -1.358400      -1.132300    
 H    3.938900      -1.851600      0.5329000    
 H    4.943100      0.9536000       1.442100    
 H    5.633900     -0.6024000       1.923200    
 H    7.286700     -0.8658000     -0.7117000    
 H    6.423900      -2.162800      0.1265000    
 H    2.912400      0.8720000     -0.4481000    
 H    3.069700      0.4036000       1.270800    
 H    7.827500      0.1591000       1.087500    
 H    7.078300       1.556400      0.2726000    
 H    7.118200       1.454900       2.034100    
 H    5.164000      -2.656000      -1.922300    
 H    5.711200      -1.137800      -2.683000    
 H    6.848300      -2.448000      -2.363100    
 H  -0.4876000      -1.709300      0.7243000    
 H   -2.445400       1.789500       1.900000    
 H   -2.720200      -1.647700      -1.931600    
 H   -1.590500      0.9264000      -2.235000    
 H   -3.575400     -0.7842000       2.204600    
 H   -2.665000       4.187400       1.347500    
 H   -4.663700      -3.169800      -2.008400    
 H   -1.812700       3.326900      -2.775300    
 H   -5.516300      -2.309100       2.114400    
 H   -2.349600       4.961600     -0.9882000    
 H   -6.065100      -3.504700      1.1000000E-02


%chk=000021591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021591

0 1
O 1.769223 -0.686578 -0.146919
O 0.929994 1.472552 -0.443553
N 5.498747 -0.759354 0.185934
C 4.100000 -1.254941 0.177514
C 5.876473 -0.124018 1.478280
C 6.487485 -1.763387 -0.288016
C 3.144299 -0.122361 -0.217520
C 6.987007 0.933026 1.326999
C 6.446240 -1.970395 -1.814091
C -1.850193 -0.000428 -0.165888
C -2.233894 1.418461 -0.435870
C -2.961723 -0.959498 0.134226
C -0.560528 -0.493914 -0.183282
C 0.711991 0.244514 -0.285557
C -3.192118 2.059701 0.399150
C -4.223104 -0.832354 -0.513804
C -1.695810 2.143583 -1.532571
C -2.783633 -2.028732 1.057979
C -3.582049 3.394234 0.159368
C -5.259641 -1.757293 -0.267294
C -2.102698 3.469553 -1.785684
C -3.823074 -2.947627 1.311019
C -3.041314 4.103631 -0.938185
C -5.065036 -2.819948 0.645440
H 4.002748 -2.070711 -0.559982
H 3.788799 -1.674674 1.163140
H 4.975317 0.369833 1.887419
H 6.182976 -0.892101 2.233243
H 7.493476 -1.398469 -0.011998
H 6.354132 -2.746330 0.231878
H 3.344797 0.227271 -1.245645
H 3.215012 0.747412 0.460367
H 7.923457 0.494349 0.937395
H 6.665091 1.723007 0.626663
H 7.216154 1.395718 2.305217
H 5.464351 -2.348473 -2.152817
H 6.638918 -1.014396 -2.331197
H 7.212315 -2.704956 -2.125796
H -0.416622 -1.572363 -0.060209
H -3.618976 1.511899 1.246592
H -4.380364 -0.014921 -1.225258
H -0.961967 1.665785 -2.187083
H -1.836934 -2.117812 1.602369
H -4.307428 3.877065 0.823506
H -6.217678 -1.649967 -0.787871
H -1.681282 4.010932 -2.639655
H -3.669489 -3.756209 2.034311
H -3.348553 5.137573 -1.132034
H -5.872392 -3.534089 0.842170


