%chk=000112223.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112223

1 1
 O   -2.692100       3.672100       1.283900    
 O   -2.388800      -4.183500       1.544900    
 O   -1.169700      -4.378400     -0.3607000    
 N   -1.453500     -0.1389000     -0.8673000    
 N   -1.191600       2.025600     -0.4436000    
 C  -0.7362000      0.7950000     -0.2599000    
 C   -2.566000      0.4912000      -1.592500    
 C   -2.380700       1.985900      -1.305900    
 C   0.4499000      0.4910000      0.5560000    
 C    1.716200      0.4251000     -0.2943000    
 C   -1.240900      -1.580400     -0.8552000    
 C  -0.6532000       3.268400      9.3900003E-02
 C    2.955000      5.5000000E-02  0.5263000    
 C   -1.954600      -2.182400      0.3450000    
 C    4.210900      2.7000001E-02 -0.3473000    
 C   -1.286800       3.530200       1.445200    
 C    5.453300     -0.3124000      0.4756000    
 C   -1.779500      -3.682000      0.4385000    
 C    6.708300     -0.3084000     -0.3828000    
 H   -2.485800      0.2710000      -2.661200    
 H   -3.519900      0.1207000      -1.205700    
 H   -3.251100       2.400500     -0.7922000    
 H   -2.189700       2.549700      -2.224100    
 H   0.3175000     -0.4594000       1.083500    
 H   0.5817000       1.233600       1.349600    
 H    1.876000       1.395700     -0.7801000    
 H    1.586100     -0.3028000      -1.103700    
 H   -1.632300      -2.004000      -1.787600    
 H  -0.1705000      -1.806800     -0.8354000    
 H   0.4364000       3.211400      0.1686000    
 H  -0.8966000       4.076800     -0.6047000    
 H    2.807300     -0.9268000      0.9921000    
 H    3.086400      0.7823000       1.336600    
 H   -3.028100      -1.971900      0.2787000    
 H   -1.579100      -1.738500       1.272700    
 H    4.345100       1.004200     -0.8271000    
 H    4.086100     -0.7118000      -1.148400    
 H   -1.104100       2.706200       2.141100    
 H  -0.8917000       4.454600       1.877200    
 H    5.335400      -1.299200      0.9381000    
 H    5.572600      0.4143000       1.287600    
 H    6.873000      0.6759000     -0.8325000    
 H    6.635000      -1.046400      -1.187900    
 H    7.584200     -0.5547000      0.2254000    
 H   -3.064700       3.842300       2.165800    
 H   -2.277700      -5.155700       1.614100    


%chk=000112223-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112223

1 1
O -2.759857 4.003615 1.057490
O -2.824174 -4.671909 0.799142
O -0.584550 -4.110185 0.504737
N -1.514509 -0.178460 -0.673904
N -1.197577 2.005955 -0.314189
C -0.726149 0.758081 -0.087500
C -2.690478 0.452518 -1.353724
C -2.434696 1.976601 -1.163739
C 0.539408 0.451738 0.662274
C 1.790503 0.410437 -0.272931
C -1.298692 -1.634538 -0.699737
C -0.641285 3.281312 0.174954
C 3.079299 0.089472 0.516886
C -2.342009 -2.417725 0.132749
C 4.332505 0.048077 -0.387342
C -1.354052 3.814530 1.428552
C 5.626713 -0.272845 0.396526
C -1.795721 -3.798859 0.479973
C 6.875444 -0.313757 -0.509607
H -2.715394 0.151088 -2.414970
H -3.626577 0.121947 -0.871719
H -3.243639 2.500778 -0.634087
H -2.234142 2.495828 -2.117357
H 0.440311 -0.517691 1.181330
H 0.695508 1.210098 1.449406
H 1.901680 1.383793 -0.791486
H 1.639916 -0.352245 -1.062215
H -1.323523 -1.972605 -1.752577
H -0.292150 -1.868783 -0.318093
H 0.435361 3.162451 0.382025
H -0.747556 4.023758 -0.636052
H 2.964775 -0.887646 1.029198
H 3.226662 0.847919 1.313556
H -3.310730 -2.531079 -0.381341
H -2.542453 -1.896257 1.089499
H 4.452128 1.023399 -0.903320
H 4.190958 -0.712505 -1.182696
H -1.257100 3.096129 2.269260
H -0.872512 4.771071 1.717277
H 5.509889 -1.247860 0.911286
H 5.770174 0.485921 1.192436
H 7.036174 0.658007 -1.012796
H 6.773758 -1.086682 -1.294078
H 7.784995 -0.544595 0.072841
H -3.240572 4.516455 1.752823
H -2.464559 -5.563450 1.061540


