%chk=000060307.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060307

2 1
 O   -2.704200      -1.375900      2.1199999E-02
 O    2.705800      -1.372900     -2.1299999E-02
 N   -5.450000       1.151100     -6.2000002E-03
 N    5.435500       1.124000      5.4000001E-03
 N  -0.6799000     -0.2400000      5.7999999E-03
 N   0.6801000     -0.2392000     -5.5000000E-03
 C   -4.813900     -0.2311000      2.7500000E-02
 C    4.815700     -0.2248000     -2.7600000E-02
 C   -4.984000       1.894000      -1.249900    
 C   -6.965200       1.011300     -3.6600001E-02
 C   -5.037200       1.930000       1.234400    
 C    4.984700       1.900200       1.250400    
 C    6.966200       1.019100      3.6400001E-02
 C    5.037500       1.936800      -1.234000    
 C   -3.304800     -8.7499999E-02  2.6400000E-02
 C    3.306600     -8.2199998E-02 -2.6300000E-02
 C   -1.334400      -1.419100      1.1100000E-02
 C    1.338700      -1.417600     -1.1000000E-02
 C  -0.6904000      -2.638600      5.7000001E-03
 C   0.6934000      -2.637900     -5.7999999E-03
 H   -5.166700     -0.7548000      0.9241000    
 H   -5.160800     -0.7924000     -0.8486000    
 H    5.162700     -0.7554000     -0.9226000    
 H    5.157200     -0.7934000      0.8462000    
 H   -5.101700       1.238600      -2.117900    
 H   -5.614700       2.781400      -1.367600    
 H   -3.948800       2.223000      -1.131200    
 H   -7.279800      0.4718000      0.8617000    
 H   -7.409700       2.010900     -5.5799998E-02
 H   -7.242200      0.4538000     -0.9362000    
 H   -5.219100       1.309200       2.116600    
 H   -3.987900       2.226400       1.164600    
 H   -5.651300       2.835300       1.283500    
 H    3.948500       2.227400       1.134800    
 H    5.109400       1.255400       2.125200    
 H    5.620000       2.786900       1.344700    
 H    7.389300       2.027700      5.5399999E-02
 H    7.250400      0.4659000      0.9364000    
 H    7.287800      0.4842000     -0.8620000    
 H    5.226800       1.327400      -2.122400    
 H    3.987600       2.231500      -1.167800    
 H    5.654900       2.840500      -1.259100    
 H   -2.955900      0.4367000     -0.8677000    
 H   -2.958600      0.4358000      0.9229000    
 H    2.956100      0.4406000      0.8683000    
 H    2.958600      0.4402000     -0.9228000    
 H   -1.243500      -3.571200      9.8999999E-03
 H    1.247200      -3.570300     -1.0400000E-02


%chk=000060307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060307

2 1
O -2.730325 -1.072409 -0.009299
O 2.732741 -1.069295 0.007426
N -5.869725 1.028270 -0.012608
N 5.869795 1.035001 0.013342
N -0.690570 0.109204 -0.002276
N 0.691617 0.109990 0.001985
C -4.870427 -0.146930 -0.011755
C 4.871766 -0.141495 0.011599
C -5.699004 1.894865 -1.262853
C -7.283803 0.432852 -0.015085
C -5.702718 1.893199 1.239273
C 5.695775 1.902330 1.262560
C 7.284482 0.441163 0.018809
C 5.703978 1.898704 -1.239504
C -3.384398 0.253409 -0.009563
C 3.385344 0.257237 0.009828
C -1.336835 -1.080410 -0.005108
C 1.339249 -1.078872 0.003121
C -0.694558 -2.354129 -0.004068
C 0.698451 -2.353331 0.000254
H -5.089352 -0.754516 0.882461
H -5.086945 -0.753925 -0.906962
H 5.091420 -0.748030 -0.883145
H 5.089163 -0.748811 0.906356
H -5.774169 1.255778 -2.155889
H -6.497313 2.652288 -1.279305
H -4.720349 2.394981 -1.237173
H -7.415623 -0.186497 0.884964
H -8.017770 1.252703 -0.014741
H -7.413551 -0.183909 -0.917210
H -5.782007 1.253110 2.131237
H -4.723355 2.392138 1.217909
H -6.500191 2.651540 1.253595
H 4.716851 2.401799 1.234393
H 5.769429 1.263980 2.156253
H 6.493534 2.660319 1.280233
H 8.017577 1.261799 0.018045
H 7.413709 -0.173878 0.922182
H 7.418286 -0.179617 -0.879963
H 5.786366 1.258138 -2.130846
H 4.723682 2.395911 -1.220679
H 6.500099 2.658494 -1.252679
H -3.072873 0.818172 -0.906128
H -3.075210 0.817435 0.888261
H 3.073164 0.820245 0.907263
H 3.075639 0.822367 -0.887133
H -1.281557 -3.275019 -0.006505
H 1.286509 -3.273548 0.001426


