%chk=000124521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124521

0 1
 O   -1.104100       2.956100      -1.299300    
 O   -1.168400      -2.415900      -1.371100    
 O    1.018800       2.393500      -1.476900    
 O   0.9937000      -2.832400      -1.451400    
 N  -5.2600000E-02   2.467700     -0.8508000    
 N  -3.3100002E-02  -2.447200     -0.8660000    
 C  -0.4309000      0.4985000      0.4495000    
 C   0.4741000     -0.5139000      0.4447000    
 C   -1.891700      0.2394000      0.4526000    
 C    1.934800     -0.2548000      0.4417000    
 C  -6.9100000E-02   1.957700      0.5315000    
 C   0.1127000      -1.973500      0.5219000    
 C   -2.546700      0.1198000       1.662000    
 C    2.595900     -0.1410000       1.648400    
 C   -2.553000      0.1258000     -0.7540000    
 C    2.590000     -0.1349000     -0.7677000    
 C   -3.920000     -0.1240000       1.665100    
 C    3.969400      0.1030000       1.645700    
 C   -3.926500     -0.1179000     -0.7508000    
 C    3.963500      0.1090000     -0.7702000    
 C   -4.610000     -0.2428000      0.4587000    
 C    4.653000      0.2279000      0.4364000    
 H  -0.7984000       2.544800       1.100700    
 H   0.9139000       2.154400      0.9686000    
 H  -0.8273000      -2.171600       1.044700    
 H   0.8856000      -2.582100       1.004300    
 H   -2.019100      0.2105000       2.607400    
 H    2.073100     -0.2366000       2.596000    
 H   -2.034900      0.2238000      -1.703900    
 H    2.066700     -0.2242000      -1.715300    
 H   -4.452200     -0.2214000       2.606800    
 H    4.506300      0.1958000       2.585100    
 H   -4.463700     -0.2100000      -1.690200    
 H    4.495800      0.2067000      -1.711800    
 H   -5.679300     -0.4325000      0.4610000    
 H    5.722300      0.4180000      0.4342000    


%chk=000124521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124521

0 1
O -0.802883 3.985252 -0.361527
O 0.169913 -2.253442 -1.728722
O -0.174869 2.258430 -1.710441
O 0.825421 -3.985152 -0.399415
N -0.379581 2.789278 -0.558472
N 0.393072 -2.790384 -0.582991
C -0.462832 0.494111 0.552100
C 0.488175 -0.503397 0.542620
C -1.937496 0.247707 0.465541
C 1.961560 -0.256417 0.439682
C -0.061027 1.945686 0.699309
C 0.087117 -1.955853 0.683888
C -2.831474 0.789759 1.430144
C 2.867768 -0.807430 1.387684
C -2.475159 -0.489363 -0.626830
C 2.485386 0.490783 -0.652566
C -4.222188 0.577534 1.321986
C 4.256975 -0.594092 1.263826
C -3.867762 -0.695390 -0.734968
C 3.876496 0.697907 -0.776508
C -4.745919 -0.166355 0.238546
C 4.766936 0.159911 0.180813
H -0.609295 2.457133 1.506293
H 1.023654 2.065978 0.859264
H -0.996057 -2.076495 0.853416
H 0.642735 -2.473224 1.481996
H -2.441448 1.359743 2.282264
H 2.488711 -1.385401 2.239331
H -1.796472 -0.868430 -1.398780
H 1.797047 0.876208 -1.412762
H -4.896142 0.992638 2.079237
H 4.940521 -1.016203 2.008506
H -4.265879 -1.256601 -1.587252
H 4.263766 1.266921 -1.628612
H -5.826488 -0.323273 0.150511
H 5.846318 0.317624 0.080492


