%chk=000057531.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057531

0 1
 O  -7.5099997E-02  -2.533200     -0.7852000    
 N   0.4834000     -0.3970000      0.1085000    
 N  -8.9199997E-02   3.296400      0.1937000    
 C  -1.5200000E-02  0.8512000      0.6432000    
 C   0.4280000       2.009900     -0.2591000    
 C   0.4408000       1.009100       2.091800    
 C    1.928700     -0.5954000      3.0000000E-03
 C  -0.3885000      -1.438900     -0.3184000    
 C   -1.553000       3.295600      0.1824000    
 C   0.4247000       4.381600     -0.6434000    
 C   -1.839700      -1.195900     -0.2097000    
 C    2.534400     -0.2109000      -1.155300    
 C    2.568400      -1.150200       1.070400    
 C    3.912900     -0.3995000      -1.256000    
 C    3.946900      -1.338600      0.9697000    
 C   -2.510900     -0.6222000      -1.276000    
 C   -2.499000      -1.547400      0.9559000    
 C    4.619000     -0.9632000     -0.1936000    
 C   -3.882900     -0.3927000      -1.173600    
 C   -3.871000      -1.317900       1.058200    
 C   -4.562900     -0.7406000     -6.6000000E-03
 H   -1.101200      0.8263000      0.6735000    
 H   0.1248000       1.812100      -1.296700    
 H    1.521800       2.081400     -0.2514000    
 H    1.515500       1.201900       2.172600    
 H  -6.9399998E-02   1.851900       2.570800    
 H   0.2057000      0.1155000       2.680900    
 H   -1.964300       2.966400     -0.7789000    
 H   -1.935300       4.305100      0.3779000    
 H   -1.971300       2.678600      0.9831000    
 H    1.519700       4.409200     -0.6114000    
 H   7.8500003E-02   5.352400     -0.2715000    
 H   0.1119000       4.280800      -1.689100    
 H    1.987200      0.2151000      -1.989300    
 H    2.047900      -1.455000       1.971800    
 H    4.435600     -0.1103000      -2.163100    
 H    4.496400      -1.780500       1.795800    
 H   -1.987200     -0.3472000      -2.187100    
 H   -1.966200      -1.996200       1.789300    
 H    5.692100      -1.111400     -0.2725000    
 H   -4.421400      5.7799999E-02  -2.002200    
 H   -4.400500      -1.588100       1.967100    
 H   -5.631100     -0.5614000      7.3299997E-02


%chk=000057531-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057531

0 1
O 0.046871 -2.661217 0.116769
N 0.470792 -0.359639 0.185722
N -0.233661 3.406995 0.031569
C 0.053700 0.993563 0.692379
C 0.366843 2.109550 -0.344949
C 0.684864 1.313961 2.063814
C 1.897910 -0.625351 0.055040
C -0.392868 -1.469165 0.141649
C -1.688825 3.474010 -0.210942
C 0.476038 4.561038 -0.557136
C -1.883724 -1.223774 0.074804
C 2.581694 -0.219967 -1.114748
C 2.600277 -1.298259 1.082796
C 3.967416 -0.467022 -1.246470
C 3.982361 -1.549157 0.946776
C -2.463700 -0.293652 -0.826186
C -2.729932 -2.063846 0.842803
C 4.671349 -1.129620 -0.215637
C -3.867706 -0.192799 -0.942080
C -4.132624 -1.948297 0.742428
C -4.706020 -1.011122 -0.149843
H -1.038773 0.937315 0.827997
H 0.029432 1.767999 -1.358747
H 1.463257 2.242850 -0.397642
H 1.788076 1.302445 2.012819
H 0.363002 2.324691 2.367815
H 0.363196 0.585406 2.829532
H -1.952973 3.395051 -1.297445
H -2.082757 4.434048 0.167339
H -2.213156 2.663271 0.323188
H 1.543087 4.527097 -0.275531
H 0.048620 5.499638 -0.160292
H 0.412086 4.602094 -1.674224
H 2.024612 0.263519 -1.924203
H 2.056833 -1.637050 1.970205
H 4.490776 -0.152762 -2.156364
H 4.519222 -2.076792 1.742807
H -1.818193 0.326474 -1.458605
H -2.273291 -2.813331 1.497507
H 5.743990 -1.326995 -0.320675
H -4.305888 0.516658 -1.653056
H -4.777905 -2.594225 1.347956
H -5.795309 -0.929026 -0.236140


