%chk=000003162.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003162

0 1
 O   0.5131000      -1.110000      6.0199998E-02
 N    4.193500      -1.293200      0.1429000    
 N   8.9599997E-02   2.044300       1.127400    
 C  -0.4700000     -0.2597000      0.6346000    
 C   -1.872500     -0.7085000      0.2049000    
 C  -0.1724000       1.165600      0.1576000    
 C  -0.3111000     -0.4867000       2.151400    
 C    1.826300     -0.7199000      0.4399000    
 C    2.823700      -1.667800     -0.2068000    
 C   -2.955000      1.4700000E-02  0.6448000    
 C   -1.987700      -1.814600     -0.6024000    
 C  -0.2004000       1.408400      -1.187000    
 C   -4.230300     -0.3932000      0.2539000    
 C   -3.263100      -2.222400     -0.9932000    
 C   7.4100003E-02   2.711400      -1.587000    
 C   -4.384500      -1.511600     -0.5651000    
 C    4.471100      7.9599999E-02 -0.2781000    
 C    5.147900      -2.218000     -0.4675000    
 C   0.3514000       3.300100      0.7007000    
 C   0.3562000       3.681400     -0.6314000    
 H   0.5666000     -6.0000001E-03   2.595400    
 H  -0.2620000      -1.556200       2.392200    
 H   -1.158500     -7.1300000E-02   2.711100    
 H    2.025200      0.2981000      0.1076000    
 H    1.992500     -0.7932000       1.517300    
 H    2.610000      -2.687600      0.1388000    
 H    2.670300      -1.677600      -1.294600    
 H   -2.851300      0.8883000       1.280400    
 H   -1.140000      -2.392200     -0.9541000    
 H  -0.4144000      0.6459000      -1.926400    
 H   -5.103400      0.1605000      0.5867000    
 H   -3.383700      -3.093300      -1.630900    
 H   6.9799997E-02   2.970400      -2.641500    
 H   -5.377400      -1.829100     -0.8696000    
 H    3.991500      0.8138000      0.3767000    
 H    4.181000      0.2696000      -1.318000    
 H    5.543700      0.2946000     -0.1925000    
 H    6.171100      -1.976600     -0.1584000    
 H    5.103500      -2.195900      -1.562500    
 H    4.956100      -3.244400     -0.1350000    
 H   0.5656000       4.018800       1.484900    
 H   0.5737000       4.703300     -0.9202000    


%chk=000003162-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003162

0 1
O 0.569614 -1.011884 0.128749
N 4.265487 -1.521160 -0.101078
N -0.647742 2.320402 1.084476
C -0.449303 -0.145928 0.770624
C -1.815559 -0.689907 0.294755
C -0.274153 1.302012 0.251327
C -0.356997 -0.223335 2.311838
C 1.961417 -0.789083 0.554664
C 2.835302 -1.509477 -0.483863
C -2.999680 0.023223 0.614454
C -1.913881 -1.901951 -0.429416
C 0.213240 1.538539 -1.059933
C -4.261280 -0.469687 0.217422
C -3.179125 -2.393764 -0.826465
C 0.320726 2.866482 -1.521683
C -4.356989 -1.682239 -0.505411
C 4.907694 -0.194474 -0.204161
C 5.028058 -2.555383 -0.829860
C -0.539783 3.601494 0.623784
C -0.060536 3.925714 -0.663942
H 0.591107 0.203613 2.681786
H -0.436489 -1.278097 2.626893
H -1.173567 0.356248 2.767757
H 2.181509 0.297628 0.590499
H 2.143028 -1.225310 1.555571
H 2.482682 -2.555450 -0.546142
H 2.665224 -1.046014 -1.490174
H -2.930266 0.968187 1.165884
H -0.998156 -2.445921 -0.672361
H 0.489534 0.684782 -1.685495
H -5.167844 0.092138 0.470103
H -3.243293 -3.334330 -1.386020
H 0.691170 3.073828 -2.531549
H -5.336374 -2.065148 -0.814397
H 4.400247 0.533936 0.450819
H 4.902336 0.214806 -1.247712
H 5.958190 -0.268219 0.128897
H 6.064913 -2.587816 -0.449395
H 5.073429 -2.380757 -1.935511
H 4.570834 -3.545931 -0.658614
H -0.851491 4.387135 1.322169
H 0.006567 4.970899 -0.982089


