%chk=000043612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043612

0 1
 O   -1.437800       1.686200       1.564600    
 O  -0.8265000      -2.536900     -0.2167000    
 O    5.540700     -3.9500002E-02 -0.5161000    
 N  -0.7633000     -0.4090000      0.7663000    
 N    2.800600      0.4563000      7.3600002E-02
 C   -3.045100     -3.1599998E-02  0.9206000    
 C   -2.792500      -1.118300     -0.1300000    
 C   -4.157800      0.9635000      0.6088000    
 C   -2.904200     -0.6498000      -1.590200    
 C   -1.670500      0.5736000       1.116900    
 C   -1.350500      -1.492100      0.1416000    
 C   0.6615000     -0.2890000       1.003900    
 C    1.371300      0.3179000     -0.1975000    
 C   -4.379400       1.225300     -0.8451000    
 C   -3.820700      0.5063000      -1.823600    
 C    3.414500     -0.8559000      0.3194000    
 C    3.480500       1.129100      -1.042100    
 C    4.907200     -0.6869000      0.5879000    
 C    4.971900       1.250700     -0.7424000    
 H   -3.277100     -0.5101000       1.884000    
 H   -3.443700      -1.980200      5.2900001E-02
 H   -3.970700       1.918000       1.114100    
 H   -5.101100      0.5766000       1.014700    
 H   -3.251600      -1.496900      -2.195300    
 H   -1.920400     -0.3811000      -1.997000    
 H   0.8171000      0.3321000       1.893900    
 H    1.008000      -1.302400       1.221500    
 H    1.191400     -0.2920000      -1.093000    
 H   0.9376000       1.306100     -0.3985000    
 H   -5.043900       2.043700      -1.108100    
 H   -4.033800      0.7707000      -2.855700    
 H    3.268800      -1.516900     -0.5447000    
 H    3.006300      -1.348200       1.205600    
 H    3.065600       2.132400      -1.191800    
 H    3.340700      0.5607000      -1.970900    
 H    5.092000     -0.1126000       1.504100    
 H    5.377700      -1.667600      0.7117000    
 H    5.488800       1.696600      -1.598200    
 H    5.158700       1.891100      0.1283000    


%chk=000043612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043612

0 1
O -1.316273 1.954208 1.301969
O -0.851151 -2.581726 0.223536
O 5.708045 0.066841 -0.542558
N -0.771551 -0.304165 0.858080
N 2.885516 0.331515 0.082947
C -3.091203 0.225018 0.858614
C -2.869897 -1.093650 0.059271
C -4.127123 1.242684 0.314825
C -2.986665 -0.909380 -1.486193
C -1.665093 0.781508 1.024016
C -1.421302 -1.476486 0.389574
C 0.678849 -0.218580 1.092961
C 1.424370 0.371997 -0.130224
C -4.673175 0.916038 -1.059839
C -4.176082 -0.052736 -1.869354
C 3.485707 -0.993235 -0.227395
C 3.620180 1.409997 -0.628153
C 4.972982 -0.997832 0.161009
C 5.104943 1.373785 -0.229648
H -3.396528 -0.060925 1.886423
H -3.562020 -1.890464 0.376146
H -3.655507 2.247362 0.305672
H -4.974975 1.329295 1.021382
H -3.043490 -1.905837 -1.959556
H -2.058211 -0.439654 -1.876154
H 0.860853 0.422108 1.971528
H 1.030276 -1.242492 1.307207
H 1.115323 -0.180859 -1.051918
H 1.110749 1.424421 -0.252622
H -5.523404 1.523175 -1.398645
H -4.619740 -0.220361 -2.859241
H 3.389784 -1.232048 -1.316505
H 2.957951 -1.783933 0.336968
H 3.187262 2.387524 -0.344416
H 3.540078 1.302600 -1.739065
H 5.070447 -0.858137 1.259240
H 5.460048 -1.940147 -0.139348
H 5.689784 2.113120 -0.801406
H 5.200546 1.579350 0.858371


