%chk=000037890.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037890

0 1
 O   -1.004600      -1.321000      0.3235000    
 O    3.081900       1.113900      0.3612000    
 O   -3.149200       2.062000     -0.3736000    
 N    2.930200      -1.481300     -0.2415000    
 C    1.020600     -0.1113000      0.3410000    
 C  -0.3685000     -0.1156000      0.2065000    
 C    1.759400      -1.385700      0.6005000    
 C   -1.047700       1.072900     -3.3799998E-02
 C    1.725400       1.087600      0.2332000    
 C   -2.509900       1.037200     -0.1710000    
 C   -3.165200     -0.2972000     -4.8900001E-02
 C  -0.3461000       2.276900     -0.1424000    
 C   -2.385200      -1.371100      0.1910000    
 C    1.042800       2.279900     -8.3999997E-03
 C    2.562300      -1.452600      -1.662900    
 C    3.692400      -2.702200      4.9899999E-02
 C   -4.654400     -0.3069000     -0.2340000    
 C   -2.903900      -2.768600      0.3733000    
 C    3.719800       2.383300      0.2364000    
 H    2.051100      -1.382400       1.659200    
 H    1.124800      -2.268700      0.4579000    
 H  -0.8611000       3.215000     -0.3303000    
 H    1.523300       3.247400     -0.1042000    
 H    1.864900      -2.258500      -1.921800    
 H    3.457900      -1.574600      -2.284000    
 H    2.122500     -0.5012000      -1.976600    
 H    4.003700      -2.717100       1.100400    
 H    4.609000      -2.735300     -0.5493000    
 H    3.112100      -3.609900     -0.1522000    
 H   -5.145300      0.1511000      0.6308000    
 H   -5.065400      -1.310500     -0.3668000    
 H   -4.933200      0.2602000      -1.129100    
 H   -2.333000      -3.283600       1.154300    
 H   -2.793200      -3.334700     -0.5567000    
 H   -3.950900      -2.801900      0.6844000    
 H    4.794400       2.216800      0.3651000    
 H    3.408600       3.071900       1.029400    
 H    3.582900       2.807500     -0.7641000    


%chk=000037890-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037890

0 1
O -0.879830 -1.230602 0.281597
O 3.144807 1.322713 0.625069
O -3.203452 2.139288 -0.515847
N 2.662009 -1.686265 -0.547066
C 1.144091 0.052007 0.412416
C -0.255256 0.031131 0.210328
C 1.957406 -1.204206 0.673554
C -1.027863 1.193425 -0.057689
C 1.772557 1.327576 0.366177
C -2.490673 1.105555 -0.270205
C -3.076632 -0.252918 -0.181783
C -0.351302 2.436085 -0.115647
C -2.268951 -1.338342 0.084987
C 1.031476 2.514992 0.096008
C 1.751903 -2.231738 -1.571251
C 3.758412 -2.615567 -0.215232
C -4.571712 -0.387802 -0.392552
C -2.691496 -2.774574 0.211714
C 3.869632 2.594954 0.551121
H 2.735280 -0.961548 1.418766
H 1.297041 -1.993393 1.106308
H -0.951218 3.327215 -0.326411
H 1.530622 3.486726 0.055849
H 1.199029 -3.145297 -1.230807
H 2.332656 -2.494949 -2.473766
H 1.005879 -1.470639 -1.855291
H 4.469587 -2.120768 0.470068
H 4.303773 -2.886381 -1.137403
H 3.412880 -3.566472 0.268367
H -5.082079 -0.806389 0.494360
H -4.814192 -1.029993 -1.259284
H -4.981398 0.617948 -0.583401
H -2.445719 -3.163386 1.217184
H -2.152652 -3.403095 -0.521110
H -3.772710 -2.884015 0.045166
H 4.916213 2.336486 0.767750
H 3.498714 3.316358 1.304547
H 3.796368 3.037579 -0.460193


