%chk=000001869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001869

0 1
 O    1.880300      0.2205000       1.133200    
 O    2.141800       1.255500      -2.283800    
 O    3.547900      -1.417200      -1.589400    
 O    4.611100      0.3311000       1.690500    
 N  -7.1000002E-02   1.063500      9.2100002E-02
 N   -2.104900       1.958000      0.2853000    
 N  -0.6683000      -1.279300     -0.1450000    
 N   -3.087900      -1.589800     -7.1199998E-02
 N   -4.610000      0.2367000      0.2015000    
 C    1.900200      0.3154000      -1.251400    
 C    1.386700      0.9869000      1.7300000E-02
 C    3.180700     -0.3284000     -0.7638000    
 C    2.781300     -0.7816000      0.6315000    
 C    3.959000     -0.9235000       1.579000    
 C  -0.9523000      2.2200000E-02  1.4400000E-02
 C  -0.8118000       2.204800      0.2552000    
 C   -2.207000      0.5977000      0.1358000    
 C   -3.300400     -0.2612000      8.7899998E-02
 C   -1.804000      -2.010100     -0.1762000    
 C   -5.771200     -0.6013000      0.1572000    
 H    1.223000     -0.4405000      -1.660700    
 H    1.770800       2.009400      0.1156000    
 H    4.001800      0.3967000     -0.7677000    
 H    2.239400      -1.734800      0.5973000    
 H    3.612800      -1.208400       2.577500    
 H    4.673800      -1.668200       1.215600    
 H    1.296800       1.694100      -2.481800    
 H    2.821600      -2.063700      -1.587200    
 H  -0.3581000       3.182400      0.3450000    
 H    5.356600      0.2127000       2.303500    
 H   -1.671200      -3.079200     -0.3026000    
 H   -4.725400       1.237100      0.3183000    
 H   -5.837900      -1.132500     -0.7977000    
 H   -6.673900      7.8999996E-03  0.2652000    
 H   -5.761100      -1.332600      0.9718000    


%chk=000001869-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001869

0 1
O 1.888690 0.288334 1.275486
O 3.148183 1.382492 -1.572716
O 1.750956 -2.027162 -1.050627
O 4.760736 0.697026 0.463483
N -0.084672 1.056630 0.139413
N -2.198993 1.902547 0.483538
N -0.719857 -1.305095 -0.396508
N -3.141534 -1.665680 -0.323856
N -4.661591 0.079149 0.198108
C 2.085684 0.482056 -1.152706
C 1.390611 1.057342 0.126869
C 2.622841 -0.926215 -0.720650
C 2.831324 -0.775967 0.818066
C 4.251153 -0.433110 1.272329
C -0.974190 -0.004711 -0.060752
C -0.882401 2.169477 0.471872
C -2.267474 0.537433 0.151769
C -3.379675 -0.348598 0.010266
C -1.851860 -2.062974 -0.508729
C -5.829293 -0.800276 0.065640
H 1.395539 0.397229 -2.005959
H 1.691830 2.114455 0.241794
H 3.573196 -1.119692 -1.245728
H 2.524767 -1.713954 1.315128
H 4.231605 -0.151496 2.342646
H 4.902845 -1.318970 1.129276
H 3.904029 1.270967 -0.913267
H 0.777708 -1.809357 -0.773363
H -0.439135 3.138785 0.690541
H 5.555773 1.103483 0.881167
H -1.704146 -3.111999 -0.780293
H -4.781973 1.062428 0.446960
H -5.869279 -1.252096 -0.940880
H -6.742133 -0.206789 0.235017
H -5.790064 -1.625394 0.798867


