%chk=000101187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101187

0 1
 O   -3.002400       1.983600     -0.9231000    
 O   -2.414000      -1.096700       1.519700    
 O    4.965700      -1.260500      0.5237000    
 N   -1.554500     -0.3106000     -0.4902000    
 N   -2.117600       2.827500       1.021500    
 N   -3.836000      -3.015000      0.1639000    
 C   -1.016700      0.9323000      2.6000000E-03
 C   0.1828000       1.412300     -0.8223000    
 C    1.462400      0.6972000     -0.4629000    
 C   -2.139700       1.957800     -4.8599999E-02
 C    2.274000       1.217000      0.5330000    
 C    1.802400     -0.4665000      -1.134200    
 C   -2.214600      -1.231400      0.3144000    
 C    3.456300      0.5561000      0.8661000    
 C    2.984700      -1.127500     -0.8012000    
 C    3.811700     -0.6162000      0.1990000    
 C   -2.644500      -2.459500     -0.4616000    
 H  -0.7264000      0.7834000       1.050700    
 H   0.3353000       2.490200     -0.6726000    
 H  -1.3800000E-02   1.302200      -1.897600    
 H   -1.487300     -0.4921000      -1.487700    
 H    2.004300       2.127800       1.060100    
 H    1.165600     -0.8728000      -1.914800    
 H    4.091500      0.9645000       1.647600    
 H    3.256300      -2.040200      -1.324500    
 H   -1.826200      -3.186100     -0.4512000    
 H   -2.870400      -2.197600      -1.499800    
 H   -2.821400       3.552100       1.117400    
 H   -1.400500       2.793300       1.739000    
 H   -3.612800      -3.327900       1.108200    
 H   -4.126500      -3.848200     -0.3464000    
 H    5.412300     -0.7684000       1.234000    


%chk=000101187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101187

0 1
O -2.029755 3.178630 -1.278277
O -2.645599 -0.378822 1.553608
O 4.748030 -1.898135 0.036566
N -1.335043 -0.075000 -0.338752
N -3.208335 2.178284 0.471604
N -3.392677 -2.899918 0.758519
C -0.955317 1.321547 -0.022896
C 0.325747 1.722433 -0.791544
C 1.496365 0.780112 -0.551584
C -2.115563 2.319269 -0.350633
C 2.097340 0.665354 0.727990
C 2.020548 -0.014902 -1.604504
C -2.085254 -0.854017 0.505602
C 3.176887 -0.213629 0.955859
C 3.098744 -0.900574 -1.397088
C 3.676021 -1.000141 -0.111736
C -2.187565 -2.342131 0.148916
H -0.782381 1.362026 1.070556
H 0.575200 2.754386 -0.485358
H 0.083038 1.786902 -1.867854
H -0.929287 -0.496726 -1.177733
H 1.724331 1.274587 1.560553
H 1.591231 0.072809 -2.610712
H 3.628786 -0.282105 1.954237
H 3.506466 -1.507896 -2.210450
H -1.233464 -2.813083 0.496177
H -2.206790 -2.449257 -0.955964
H -4.022897 2.770663 0.308939
H -3.237510 1.401296 1.151007
H -3.687165 -2.381741 1.592581
H -3.409018 -3.914928 0.861621
H 5.094887 -1.885193 0.962948


