%chk=000030328.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030328

0 1
 O    6.382700      0.3606000     -0.5554000    
 O   0.3466000     -5.3800002E-02   1.326400    
 N    2.750800      0.1339000      0.1425000    
 N  -0.8033000      0.1082000     -0.7140000    
 C    3.982900      0.2352000     -0.6275000    
 C    5.224000      0.2338000      0.2682000    
 C   -2.160700      3.0200001E-02 -0.3212000    
 C    1.585600      0.1792000     -0.7306000    
 C   -2.779400      -1.209200     -0.2501000    
 C   -2.849400       1.194400     -1.4800000E-02
 C   0.3229000      6.0400002E-02  0.1052000    
 C    5.373800      -1.046300       1.080500    
 C   -4.117500      -1.286000      0.1360000    
 C   -4.187600       1.117500      0.3714000    
 C   -2.052100      -2.473100     -0.5774000    
 C   -2.197900       2.537600     -8.6199999E-02
 C   -4.821600     -0.1228000      0.4468000    
 H    4.056100     -0.5949000      -1.342200    
 H    3.984000       1.155300      -1.226500    
 H    5.206700       1.093300      0.9485000    
 H    1.547200       1.124400      -1.284900    
 H    1.603500     -0.6548000      -1.441900    
 H    2.706600      0.9022000      0.8120000    
 H  -0.6610000      0.1699000      -1.719800    
 H    6.312100      -1.029900       1.645800    
 H    5.419700      -1.922700      0.4245000    
 H    4.549700      -1.179600       1.787300    
 H   -4.627100      -2.243800      0.2008000    
 H   -4.751100       2.013400      0.6180000    
 H   -1.625700      -2.422700      -1.584900    
 H   -1.250200      -2.650200      0.1466000    
 H   -2.716300      -3.343900     -0.5525000    
 H   -1.771300       2.707000      -1.080500    
 H   -2.911900       3.347400      9.9699996E-02
 H   -1.406200       2.617900      0.6658000    
 H   -5.863400     -0.1826000      0.7480000    
 H    6.306300       1.198900      -1.042200    


%chk=000030328-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030328

0 1
O 6.477278 0.696556 -0.087428
O 0.288451 1.008862 0.962365
N 2.741539 0.177761 -0.015385
N -0.817600 -0.112628 -0.778248
C 4.060156 0.489618 -0.582090
C 5.184296 0.218662 0.446154
C -2.171583 -0.067086 -0.285785
C 1.615983 0.244716 -0.948945
C -2.865694 -1.307117 -0.153782
C -2.800091 1.176683 0.010261
C 0.307648 0.410402 -0.153720
C 5.371526 -1.267155 0.751416
C -4.205236 -1.287822 0.297706
C -4.138847 1.146796 0.476231
C -2.175842 -2.622467 -0.472874
C -2.091752 2.501260 -0.180237
C -4.839297 -0.068384 0.621572
H 4.237804 -0.148362 -1.469674
H 4.140631 1.555664 -0.931766
H 4.939858 0.767597 1.385476
H 1.679013 1.118861 -1.649996
H 1.578570 -0.664806 -1.585195
H 2.517603 0.696819 0.846909
H -0.644683 -0.716639 -1.586434
H 6.124669 -1.409726 1.544927
H 5.719917 -1.792959 -0.155641
H 4.410422 -1.703373 1.072449
H -4.745733 -2.234998 0.408149
H -4.634927 2.095136 0.713173
H -1.952593 -2.730489 -1.554311
H -1.217274 -2.717692 0.070218
H -2.814164 -3.476009 -0.190536
H -1.535118 2.528175 -1.135769
H -2.812866 3.336058 -0.175763
H -1.351316 2.664749 0.624050
H -5.874896 -0.065855 0.978849
H 6.401648 1.663593 -0.294927


