%chk=000037548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037548

0 1
 O    6.146500      0.6457000       1.093900    
 N   -2.305900      0.1690000      0.1414000    
 N   -4.260000      0.7872000     -0.7187000    
 N   1.1600000E-02 -0.1176000     -0.4637000    
 N    6.360600     -0.9796000     -0.5478000    
 N    7.734400      -1.041400     -0.4140000    
 C   -3.034700       1.170500     -0.4374000    
 C   -3.114600     -0.9342000      0.2398000    
 C   -2.465400       2.509600     -0.6932000    
 C  -0.9289000      0.2526000      0.5734000    
 C   -4.328600     -0.5228000     -0.3035000    
 C   -2.667100       3.474800      0.4918000    
 C   -2.895200      -2.217300      0.7421000    
 C   -5.398200      -1.432400     -0.3569000    
 C    1.386800     -0.1151000     -0.2883000    
 C   -2.047700       4.840600      0.2416000    
 C   -3.970500      -3.109700      0.6808000    
 C   -5.200600      -2.726100      0.1416000    
 C    1.956900      0.2584000      0.9427000    
 C    2.248400     -0.4845000      -1.337500    
 C    4.178200     -0.1072000      6.6200003E-02
 C    3.340700      0.2623000       1.118500    
 C    3.632100     -0.4808000      -1.161800    
 C    5.621200     -0.1020000      0.2490000    
 H   -1.402800       2.450700     -0.9551000    
 H   -2.961300       2.934100      -1.575900    
 H  -0.8228000     -0.4083000       1.441800    
 H  -0.7440000       1.272100      0.9263000    
 H   -3.740100       3.597000      0.6856000    
 H   -2.232600       3.049600       1.404100    
 H   -1.941500      -2.520700       1.158800    
 H  -0.3473000     -0.3954000      -1.370700    
 H   -6.357800      -1.144300     -0.7740000    
 H   -2.217600       5.497900       1.100000    
 H  -0.9676000       4.756500      8.5199997E-02
 H   -2.487600       5.313300     -0.6421000    
 H   -3.845400      -4.121100       1.059800    
 H   -6.017700      -3.442200      0.1076000    
 H    1.342400      0.5521000       1.789500    
 H    1.839000     -0.7720000      -2.303500    
 H    3.746300      0.5523000       2.084300    
 H    4.248700     -0.7472000      -2.015200    
 H    5.934800      -1.632900      -1.196900    
 H    7.964500      -2.004200     -0.1714000    
 H    8.128400     -0.8828000      -1.340400    


%chk=000037548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037548

0 1
O 6.278375 0.442346 1.041942
N -2.305644 0.194550 0.179400
N -4.285816 0.836550 -0.776459
N -0.016617 -0.250153 -0.403687
N 6.471291 -1.046462 -0.724583
N 7.888770 -1.118523 -0.625610
C -3.044042 1.230145 -0.451940
C -3.150616 -0.933798 0.246962
C -2.490487 2.607825 -0.675300
C -0.926214 0.247237 0.638058
C -4.384383 -0.510792 -0.350615
C -2.645180 3.541084 0.561704
C -2.958987 -2.233517 0.755967
C -5.468188 -1.412072 -0.439923
C 1.369755 -0.260201 -0.272918
C -2.100929 4.957641 0.284381
C -4.055404 -3.118944 0.659822
C -5.289387 -2.714893 0.071765
C 2.015881 0.230947 0.902944
C 2.182125 -0.754754 -1.338955
C 4.226729 -0.283795 -0.052884
C 3.417051 0.219683 0.996645
C 3.580645 -0.764531 -1.226681
C 5.710646 -0.251555 0.137032
H -1.424017 2.558307 -0.970902
H -3.044296 3.046546 -1.523498
H -0.835094 -0.355288 1.566417
H -0.671902 1.292339 0.900487
H -3.716413 3.588845 0.832684
H -2.119594 3.102549 1.434243
H -2.012207 -2.555619 1.203091
H -0.448860 -0.659122 -1.232549
H -6.412616 -1.095897 -0.892922
H -2.222093 5.610825 1.167150
H -1.025134 4.931423 0.027450
H -2.637042 5.429041 -0.560235
H -3.954331 -4.139895 1.044024
H -6.113487 -3.434384 0.017311
H 1.428503 0.617848 1.741732
H 1.704489 -1.116137 -2.257954
H 3.921349 0.605595 1.888944
H 4.164695 -1.116675 -2.085394
H 6.047410 -1.751279 -1.326945
H 8.159703 -1.264980 0.359028
H 8.309566 -0.243560 -0.971430


