%chk=000162851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162851

0 1
 O    3.163800       2.543200      0.9514000    
 O    2.107200       2.867800      -1.028200    
 O    3.101200      -2.722800      0.9096000    
 O   -4.291400     -0.1977000      -1.746800    
 O   -4.830400      -1.010300      0.8559000    
 N   0.1718000       1.043500     -0.4475000    
 N    3.643800      -2.824600      -1.322900    
 C    1.248600       1.187900      0.5115000    
 C    1.939000     -0.1617000      0.7569000    
 C    2.537000     -0.8418000     -0.4803000    
 C   -1.072900      0.5337000     -0.1272000    
 C    2.194200       2.273800      3.8699999E-02
 C   -2.082900      0.4177000      -1.102700    
 C    3.108100      -2.217400     -0.2105000    
 C   -1.368000      0.1142000       1.185100    
 C   -3.338000     -9.7499996E-02 -0.7789000    
 C   -2.623100     -0.4010000       1.508900    
 C   -3.608100     -0.5070000      0.5269000    
 H   0.8559000       1.582700       1.457500    
 H    2.742400     -2.3100000E-02   1.492600    
 H    1.237000     -0.8616000       1.224900    
 H    1.770000     -0.9563000      -1.255200    
 H    3.337100     -0.2182000     -0.8962000    
 H   0.3580000       1.258400      -1.421200    
 H   -1.875400      0.7358000      -2.122800    
 H  -0.6474000      0.1787000       1.994100    
 H   -2.828700     -0.7165000       2.528300    
 H    3.768300       3.252000      0.6440000    
 H    3.641000      -2.380800      -2.235800    
 H    4.061500      -3.747400      -1.264600    
 H   -3.927300      0.1316000      -2.586400    
 H   -5.386000      -1.010700      5.7100002E-02


%chk=000162851-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162851

0 1
O 3.147849 2.526928 0.791475
O 2.099047 2.640976 -1.275094
O 2.786972 -2.986941 0.722309
O -4.590741 0.060893 -1.606934
O -5.062136 -0.867836 0.901498
N 0.143355 0.894908 -0.492858
N 4.157063 -2.712999 -1.125923
C 1.239256 1.082949 0.450964
C 2.048494 -0.221340 0.760418
C 2.670757 -0.845095 -0.500738
C -1.137836 0.449038 -0.117831
C 2.167672 2.151324 -0.123789
C -2.189719 0.494291 -1.080508
C 3.198874 -2.261479 -0.229704
C -1.427080 -0.050348 1.183266
C -3.477247 0.056245 -0.731295
C -2.731411 -0.482052 1.515143
C -3.767494 -0.434486 0.568441
H 0.861065 1.473453 1.420726
H 2.826915 0.011387 1.508719
H 1.369479 -0.964044 1.212986
H 1.885738 -0.913668 -1.281496
H 3.481588 -0.210627 -0.910281
H 0.245967 1.387650 -1.383527
H -1.990404 0.875693 -2.091145
H -0.644432 -0.119228 1.943623
H -2.953818 -0.868107 2.514326
H 3.736369 3.220486 0.386694
H 4.496812 -2.136808 -1.893889
H 4.511902 -3.663364 -1.020221
H -4.352782 0.396903 -2.503534
H -5.643772 -0.760100 0.104378


