%chk=000047029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047029

1 1
 O    2.057600     -0.4672000      4.1999999E-03
 O    3.629600       1.214800     -4.8000002E-03
 N   -2.793100     -9.9999998E-03 -3.1000001E-03
 N    4.251400     -0.9989000     -6.8999999E-03
 C   -1.482000      0.7618000      3.7200000E-02
 C  -0.3245000     -0.2218000      1.6500000E-02
 C   -2.864800     -0.9510000       1.190900    
 C   -3.958600      0.9671000      5.0299998E-02
 C   -2.866900     -0.8179000      -1.290700    
 C    1.015800      0.4991000      9.1000004E-03
 C    3.335600      2.4000000E-02 -2.7000001E-03
 H   -1.460700       1.430400     -0.8313000    
 H   -1.477100       1.367000      0.9513000    
 H  -0.3371000     -0.8727000     -0.8627000    
 H  -0.3237000     -0.8806000      0.8909000    
 H   -2.623900     -0.3890000       2.098100    
 H   -3.887700      -1.336800       1.254200    
 H   -2.186200      -1.795800       1.050100    
 H   -3.888700       1.634800     -0.8135000    
 H   -4.893800      0.4001000      1.8999999E-02
 H   -3.889600       1.536200      0.9820000    
 H   -2.624300     -0.1632000      -2.132900    
 H   -2.191100      -1.674800      -1.242400    
 H   -3.890900      -1.192000      -1.394900    
 H    1.107700       1.129400      0.9016000    
 H    1.098100       1.128900     -0.8846000    
 H    3.958500      -1.970200     -4.8000002E-03
 H    5.249000     -0.8151000     -1.2100000E-02


%chk=000047029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047029

1 1
O 2.140375 -0.514157 -0.007744
O 3.625050 1.316779 0.047641
N -2.842435 -0.048664 -0.003655
N 4.393750 -0.908233 -0.023309
C -1.443204 0.625849 0.030326
C -0.245433 -0.335787 -0.000970
C -3.034403 -0.961615 1.206252
C -3.898130 1.058862 0.038535
C -3.024495 -0.855909 -1.288134
C 1.058055 0.483173 0.024841
C 3.446035 0.078508 0.008886
H -1.419751 1.308701 -0.838281
H -1.429331 1.238577 0.949954
H -0.238583 -0.954556 -0.915825
H -0.238871 -1.011786 0.872339
H -2.857563 -0.382453 2.125440
H -4.065635 -1.346774 1.199714
H -2.327281 -1.800490 1.150275
H -3.766170 1.716158 -0.834303
H -4.900202 0.604100 0.014884
H -3.773925 1.639502 0.965174
H -2.841100 -0.200682 -2.153378
H -2.317581 -1.696878 -1.299488
H -4.055499 -1.240242 -1.322306
H 1.145084 1.099669 0.939787
H 1.144146 1.156809 -0.848991
H 4.130341 -1.890483 -0.053447
H 5.375357 -0.641377 -0.016216


