%chk=000104697.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104697

0 1
 O    7.004500     -0.2406000     -0.7779000    
 N  -0.1949000      7.3799998E-02  0.1325000    
 N    3.537700      0.1327000      0.4196000    
 C    1.111900      0.2269000      0.7657000    
 C    2.252700      1.0000000E-03 -0.2122000    
 C   -1.265800      0.2303000       1.092600    
 C    4.630100     -9.6400000E-02 -0.5268000    
 C   -2.597100      8.2699999E-02  0.4361000    
 C    5.976300      5.1000002E-03  0.1725000    
 C   -3.243100       1.201200     -9.0300001E-02
 C   -3.196200      -1.174000      0.3488000    
 C   -4.488100       1.063100     -0.7040000    
 C   -4.441000      -1.312200     -0.2651000    
 C   -5.087000     -0.1936000     -0.7915000    
 H    1.194200       1.236100       1.189000    
 H    1.206500     -0.4861000       1.595100    
 H    2.153600      -1.003200     -0.6442000    
 H    2.162000      0.7186000      -1.038000    
 H   -1.210400       1.215300       1.574400    
 H   -1.176700     -0.5075000       1.901100    
 H  -0.2499000     -0.8481000     -0.3009000    
 H    3.633600       1.058000      0.8367000    
 H    4.592300      0.6309000      -1.347600    
 H    4.541900      -1.090200     -0.9834000    
 H    6.061000     -0.7368000      0.9736000    
 H    6.127200       1.003800      0.5958000    
 H   -2.786900       2.185900     -3.0300001E-02
 H   -2.702900      -2.053800      0.7536000    
 H   -4.991000       1.933900      -1.114400    
 H   -4.907200      -2.290700     -0.3336000    
 H   -6.056200     -0.3012000      -1.269700    
 H    7.851700     -0.1702000     -0.3059000    


%chk=000104697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104697

0 1
O 7.109070 0.283879 -0.851854
N -0.171808 -0.118388 0.205005
N 3.594764 0.188673 0.378205
C 1.167679 -0.076410 0.826279
C 2.254040 0.137089 -0.244606
C -1.295756 -0.242046 1.158114
C 4.719238 0.281681 -0.578589
C -2.648574 -0.159124 0.458593
C 6.051839 0.109356 0.158073
C -2.851506 0.749338 -0.611971
C -3.731157 -0.968829 0.883533
C -4.113693 0.849895 -1.237830
C -4.997167 -0.866677 0.261521
C -5.192538 0.044266 -0.801967
H 1.181954 0.774096 1.539990
H 1.423200 -0.992562 1.411563
H 2.244711 -0.717504 -0.951927
H 1.996283 1.048776 -0.835529
H -1.201160 0.596306 1.880297
H -1.256996 -1.179222 1.768178
H -0.230155 -0.832417 -0.534673
H 3.643483 0.936453 1.085745
H 4.749300 1.240005 -1.150332
H 4.615947 -0.532781 -1.319445
H 6.088108 -0.896219 0.624336
H 6.145247 0.873877 0.962379
H -2.005126 1.359892 -0.944348
H -3.583032 -1.683014 1.703655
H -4.257890 1.555801 -2.064106
H -5.825121 -1.499698 0.600944
H -6.171841 0.122650 -1.287787
H 7.991456 0.107559 -0.440145


