%chk=000051543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051543

1 1
 O    1.811700      -1.395100     -0.8330000    
 O    1.581600      -1.781500       1.436700    
 N   -5.898600      0.5370000     -0.1171000    
 N  -0.3044000      0.6884000      0.5343000    
 N    5.808100       1.113000      9.4300002E-02
 N   0.2505000      0.9195000     -0.5657000    
 N   0.8062000      -3.381200     -6.3000001E-02
 C   -4.378900      0.5780000      6.0500000E-02
 C   -6.487600     -0.4209000      0.9144000    
 C   -6.214800      6.9499999E-02  -1.535100    
 C   -6.540800       1.907900      8.5199997E-02
 C   -3.712400     -0.5914000     -9.0499997E-02
 C   -3.828300       1.780700      0.3522000    
 C   -2.327200     -0.5538000      7.0000000E-02
 C   -2.443200       1.818500      0.5124000    
 C   -1.692800      0.6512000      0.3714000    
 C    4.408600       1.060400     -7.2300002E-02
 C    1.645800      0.9571000     -0.4015000    
 C    2.402900     -0.2031000     -0.5387000    
 C    3.787000     -0.1514000     -0.3739000    
 C    3.646100       2.220400      6.4300001E-02
 C    2.262000       2.168700     -0.1006000    
 C    6.541300       2.319600     -0.2330000    
 C    6.529700     -3.4200002E-02  0.6082000    
 C    1.408300      -2.165800      0.2807000    
 C   0.3372000      -4.285500      0.9774000    
 C   0.6019000      -3.826100      -1.437800    
 H   -6.174100     -9.7900003E-02   1.912500    
 H   -7.578500     -0.3796000      0.8321000    
 H   -6.155000      -1.442100      0.7096000    
 H   -5.884500     -0.9642000      -1.669700    
 H   -7.299600      0.1179000      -1.674600    
 H   -5.714600      0.7370000      -2.244200    
 H   -6.169000       2.604600     -0.6734000    
 H   -7.621800       1.793100     -5.4800000E-02
 H   -6.361600       2.250800       1.109600    
 H   -4.181200      -1.539000     -0.3256000    
 H   -4.346900       2.720800      0.4750000    
 H   -1.751800      -1.469100     -4.1299999E-02
 H   -1.956600       2.761700      0.7483000    
 H    4.359900      -1.066600     -0.4977000    
 H    4.097300       3.177500      0.3103000    
 H    1.675600       3.077100      9.4999997E-03
 H    6.458200       3.055200      0.5739000    
 H    6.181300       2.767700      -1.166100    
 H    7.606700       2.107400     -0.3768000    
 H    5.993400     -0.5063000       1.439200    
 H    7.513200      0.2576000      0.9934000    
 H    6.692300     -0.7756000     -0.1811000    
 H  -0.7393000      -4.435700      0.8534000    
 H   0.5272000      -3.885200       1.976400    
 H   0.8559000      -5.242700      0.8725000    
 H  -0.4699000      -3.969500      -1.602400    
 H    1.124100      -4.776800      -1.579100    
 H   0.9773000      -3.104800      -2.166100    


%chk=000051543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051543

1 1
O 2.226353 -1.157380 -1.356688
O 0.837624 -2.431178 0.090951
N -6.054134 0.248556 0.438127
N -0.393388 1.341761 0.677317
N 5.983187 0.826495 0.932625
N 0.409796 0.497398 0.044881
N 0.757114 -2.682791 -2.245609
C -4.542135 0.493146 0.447081
C -6.721018 1.170503 -0.592502
C -6.631613 0.532752 1.832576
C -6.413541 -1.189297 0.072421
C -4.083425 1.795096 0.769479
C -3.625491 -0.548884 0.175395
C -2.703871 2.050080 0.817086
C -2.244081 -0.287411 0.216643
C -1.763113 1.019875 0.530067
C 4.616903 0.761867 0.731544
C 1.769340 0.636351 0.308327
C 2.669189 -0.252820 -0.372275
C 4.049104 -0.196189 -0.171900
C 3.718311 1.652375 1.428695
C 2.346620 1.580764 1.219559
C 6.556737 1.801532 1.880895
C 6.886235 -0.088460 0.208771
C 1.200287 -2.124798 -1.069447
C -0.161695 -3.831022 -2.175097
C 1.204093 -2.272373 -3.587724
H -6.284921 0.958841 -1.579574
H -7.805790 0.978371 -0.597764
H -6.526791 2.217496 -0.324612
H -6.431352 1.578182 2.102177
H -7.717569 0.347610 1.817310
H -6.134780 -0.131534 2.554649
H -5.983941 -1.876064 0.815309
H -7.510552 -1.278780 0.076963
H -6.026544 -1.419073 -0.930346
H -4.773814 2.617013 0.989424
H -3.951123 -1.566545 -0.054837
H -2.327145 3.043883 1.076465
H -1.512490 -1.083124 0.041306
H 4.670075 -0.904943 -0.722125
H 4.113408 2.390944 2.129864
H 1.663515 2.253772 1.746533
H 6.173031 1.642179 2.906346
H 6.331781 2.841783 1.578104
H 7.649915 1.684118 1.905805
H 6.680086 -1.145701 0.463874
H 7.927910 0.132164 0.483661
H 6.787646 0.033568 -0.886661
H -1.111683 -3.598105 -2.693241
H -0.366069 -4.064230 -1.119589
H 0.291784 -4.717107 -2.658324
H 0.324519 -2.149730 -4.246897
H 1.869697 -3.037584 -4.032298
H 1.745705 -1.320153 -3.530123


