%chk=000053055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053055

0 1
 O   -3.270500     -0.4248000      0.7036000    
 O   -3.381900       1.492200     -0.5583000    
 O    1.831600       3.190100      0.9565000    
 N   0.8151000       1.567000      7.7100001E-02
 N   -1.429100      0.8456000      0.5091000    
 N    1.604900       2.605200     -0.1096000    
 C    1.050100      0.4786000     -0.8875000    
 C    2.159000     -0.4367000     -0.4411000    
 C  -0.6010000       1.957200      7.5700000E-02
 C   -4.320400      -1.057500     -3.6400001E-02
 C    3.465700     -0.1626000     -0.8201000    
 C    1.859100      -1.541500      0.3436000    
 C   -4.804300      -2.281000      0.7269000    
 C   -3.808200      -1.419900      -1.422000    
 C   -2.753800      0.7117000      0.1496000    
 C    4.493200      -1.010400     -0.4065000    
 C    2.886700      -2.389300      0.7573000    
 C    4.203700      -2.123700      0.3823000    
 H    1.261000      0.8700000      -1.894600    
 H   0.1631000     -0.1522000      -1.035100    
 H  -0.9362000       2.299500     -0.9123000    
 H  -0.7956000       2.764100      0.7940000    
 H   -5.161900     -0.3586000     -0.1221000    
 H   -1.024500      0.1578000       1.136600    
 H    3.703600      0.6994000      -1.436900    
 H   0.8373000      -1.757000      0.6434000    
 H   -5.623900      -2.781200      0.2023000    
 H   -5.150900      -1.994400       1.725600    
 H   -3.988900      -2.998400      0.8715000    
 H   -4.552100      -2.006000      -1.971600    
 H   -3.579300     -0.5381000      -2.027600    
 H   -2.885400      -2.007400      -1.356000    
 H    5.518600     -0.8041000     -0.6991000    
 H    2.661400      -3.256000       1.372000    
 H    5.003700      -2.783900      0.7044000    


%chk=000053055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053055

0 1
O -2.603643 -0.387852 0.831806
O -1.950036 0.143887 -1.376875
O 0.788933 3.247884 1.831918
N 0.901100 2.290607 -0.193327
N -1.335393 1.458797 0.467912
N 1.567683 2.763687 0.921591
C 1.746810 1.593756 -1.194716
C 1.835725 0.082756 -0.990133
C -0.576612 2.426999 -0.305291
C -3.297093 -1.633341 0.342441
C 2.597279 -0.436758 0.088364
C 1.188055 -0.812316 -1.875057
C -4.423597 -1.884757 1.346980
C -2.269822 -2.770618 0.256062
C -1.954260 0.380161 -0.137849
C 2.715449 -1.831104 0.273031
C 1.308982 -2.209505 -1.692940
C 2.074338 -2.721978 -0.621020
H 2.748851 2.049348 -1.101890
H 1.350052 1.828665 -2.197839
H -0.843137 2.301925 -1.365857
H -0.819485 3.445168 0.044200
H -3.696326 -1.404812 -0.663329
H -1.384552 1.559732 1.482635
H 3.093929 0.254111 0.780904
H 0.575326 -0.420915 -2.695053
H -4.999436 -2.779954 1.049877
H -5.112104 -1.023704 1.389486
H -4.012736 -2.054806 2.357718
H -2.762765 -3.696767 -0.093557
H -1.463108 -2.517833 -0.452259
H -1.823473 -2.965874 1.247358
H 3.308223 -2.223154 1.107046
H 0.806386 -2.893071 -2.386305
H 2.170357 -3.804664 -0.481334


