%chk=000053159.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053159

0 1
 O    1.112000       1.338500     -0.1194000    
 N    2.297500     -0.6786000      7.8299999E-02
 N   6.2000002E-03 -0.6749000      0.1098000    
 N   -1.203400     -7.6800004E-02  6.4499997E-02
 N   -4.549000     -0.9292000     -0.4980000    
 C    3.647800     -0.2634000      1.4500000E-02
 C   -3.592800     -0.1698000      4.5100000E-02
 C   -2.261000     -0.8305000      0.1324000    
 C    4.654100      -1.212000      0.1015000    
 C    3.937600       1.083400     -0.1343000    
 C   -3.727700       1.110100      0.5078000    
 C   -2.232200      -2.337700      0.2948000    
 C    5.986100     -0.8027000      3.8199998E-02
 C    5.269600       1.492500     -0.1977000    
 C    1.151000      0.1169000      9.2000002E-03
 C    6.293900      0.5493000     -0.1114000    
 C   -4.991600       1.680000      0.4021000    
 C   -6.034500      0.9468000     -0.1531000    
 C   -5.763700     -0.3418000     -0.5842000    
 H    4.425400      -2.267700      0.2180000    
 H    3.203500       1.871700     -0.2084000    
 H    2.149700      -1.678800      0.1874000    
 H   -2.914900       1.675900      0.9477000    
 H   -3.226900      -2.758900      0.4590000    
 H   -1.804300      -2.791700     -0.6036000    
 H   -1.623300      -2.602200       1.164700    
 H    6.783600      -1.536900      0.1052000    
 H    5.510900       2.545200     -0.3142000    
 H    7.330900      0.8680000     -0.1607000    
 H   -5.164200       2.692800      0.7536000    
 H   6.3000001E-02  -1.682600      0.1921000    
 H   -7.028000       1.370500     -0.2449000    
 H   -6.542900     -0.9555000      -1.024400    


%chk=000053159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053159

0 1
O 1.110145 1.373634 0.035493
N 2.325439 -0.655049 0.033934
N -0.002086 -0.711418 0.048543
N -1.245131 -0.124944 0.045631
N -4.741484 -1.024052 0.070594
C 3.672649 -0.194222 0.032244
C -3.625111 -0.223881 0.054087
C -2.308201 -0.916256 0.058229
C 4.693953 -1.183926 0.028021
C 4.027035 1.181646 0.034838
C -3.713299 1.198410 0.033866
C -2.262179 -2.431563 0.075720
C 6.051665 -0.807021 0.026622
C 5.392434 1.540593 0.033634
C 1.154208 0.119678 0.039166
C 6.411558 0.560888 0.029535
C -4.984499 1.800944 0.030859
C -6.140170 0.980038 0.047944
C -5.964156 -0.420910 0.067353
H 4.424436 -2.248933 0.025954
H 3.241683 1.939253 0.037262
H 2.223952 -1.672801 0.029544
H -2.789890 1.783028 0.021523
H -3.295126 -2.809811 0.091545
H -1.754551 -2.836242 -0.823537
H -1.734804 -2.815605 0.972672
H 6.826477 -1.581630 0.023344
H 5.658641 2.603635 0.035760
H 7.466135 0.855843 0.028498
H -5.077669 2.892071 0.015258
H 0.094658 -1.736670 0.059990
H -7.146246 1.410762 0.046389
H -6.828064 -1.095591 0.081087


