%chk=000090690.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090690

0 1
 O   -3.236500      -1.898200     -0.2667000    
 O   -2.821900       2.096600      -2.129000    
 O   -4.512500     -0.7311000       1.244900    
 O   -3.459800       3.859500     -0.8658000    
 O   0.6039000      -1.627800     -0.5391000    
 O    1.151600     -0.4488000      -2.307900    
 O    7.072200     -0.8365000      0.6303000    
 O    6.101900      -2.322600     -0.6617000    
 N    1.255300       1.565100      0.4303000    
 N   -3.055600      0.3417000     -0.2074000    
 N  -0.2601000       3.186200      0.3425000    
 N    1.361900     -0.8255000      -1.131700    
 N    6.063300      -1.273400      2.5599999E-02
 C   -3.802300      -3.121500      0.2055000    
 C   -3.303300       1.701000      0.2151000    
 C   -2.334400       2.128100       1.326600    
 C  -0.8944000       2.110800      0.8975000    
 C   6.0800001E-02   1.122700      0.9414000    
 C   -5.314600      -3.071800     -7.1999999E-03
 C   -3.182700      -4.258000     -0.6049000    
 C   -3.465300      -3.273000       1.688200    
 C    2.437100      0.8451000      0.3150000    
 C   -3.680900     -0.7571000      0.3435000    
 C    1.027900       2.811200      7.8800000E-02
 C   -3.205700       2.663100     -0.9599000    
 C    2.503200     -0.3234000     -0.4437000    
 C    3.572400       1.311900      0.9773000    
 C    3.704700      -1.025400     -0.5402000    
 C    4.774000      0.6100000      0.8808000    
 C    4.840200     -0.5587000      0.1221000    
 H   -4.333700       1.753600      0.5864000    
 H   -2.580900       3.141300       1.667400    
 H   -2.449700       1.465500       2.193700    
 H   -2.375800      0.1790000     -0.9445000    
 H  -2.4100000E-02  0.1189000       1.337100    
 H   -5.744600      -4.077600      7.2200000E-02
 H   -5.558900      -2.680800      -1.001700    
 H   -5.857100      -2.463700      0.7210000    
 H   -3.568200      -5.235700     -0.2979000    
 H   -3.383300      -4.126500      -1.674400    
 H   -2.092300      -4.264700     -0.4933000    
 H   -3.641500      -4.304200       2.017000    
 H   -4.059400      -2.645000       2.356600    
 H   -2.411500      -3.036400       1.876200    
 H    1.751300       3.481000     -0.3699000    
 H    3.540700       2.218100       1.577700    
 H    3.734900      -1.934900      -1.137100    
 H    5.637800       1.002500       1.411300    
 H   -2.775000       2.752800      -2.856500    


%chk=000090690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090690

0 1
O -3.099062 -1.686688 -0.404834
O -2.606781 2.497700 -2.182593
O -4.208098 -0.487627 1.327771
O -3.835527 4.102611 -1.032047
O 0.680377 -2.430949 -0.688889
O 0.111142 -0.350639 -1.452348
O 6.794730 -1.213247 0.569011
O 5.563917 -2.925365 -0.311358
N 0.997102 1.522584 0.555252
N -3.139835 0.570654 -0.463455
N -0.332831 3.360511 0.463477
N 0.875347 -1.159035 -0.802436
N 5.687004 -1.729685 0.155319
C -3.363241 -3.071098 0.176117
C -3.452339 1.912293 0.017848
C -2.549700 2.355992 1.239684
C -1.087876 2.256153 0.936505
C -0.282999 1.120932 0.982414
C -4.883856 -3.308684 0.262645
C -2.698671 -3.980920 -0.871067
C -2.665862 -3.184925 1.546920
C 2.145405 0.714245 0.383251
C -3.545149 -0.539716 0.251427
C 0.903279 2.904516 0.257149
C -3.351165 2.955364 -1.088823
C 2.102789 -0.600444 -0.172641
C 3.402256 1.207297 0.825608
C 3.248188 -1.415009 -0.226029
C 4.566424 0.429901 0.734121
C 4.469104 -0.883829 0.222748
H -4.492454 1.927301 0.391588
H -2.814622 3.392825 1.507443
H -2.827774 1.689554 2.074130
H -2.541296 0.450801 -1.284098
H -0.499898 0.108413 1.309425
H -5.074705 -4.353664 0.568934
H -5.354226 -3.148383 -0.723690
H -5.349360 -2.631935 0.996352
H -2.792719 -5.037782 -0.562949
H -3.183397 -3.856737 -1.854814
H -1.629056 -3.731267 -0.974543
H -2.778071 -4.214864 1.932138
H -3.109785 -2.487279 2.275134
H -1.585307 -2.976498 1.443517
H 1.739746 3.470847 -0.145640
H 3.441254 2.200082 1.283768
H 3.194603 -2.429875 -0.628970
H 5.534568 0.803477 1.076887
H -2.512472 3.225490 -2.853857


