%chk=000131321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131321

0 1
 O   -3.504700      -2.367100     -0.2137000    
 O    3.964700     -4.9500000E-02  -1.947300    
 O    6.421600      -2.283100       1.551700    
 O    4.950000      -1.069800       2.781800    
 O    9.379100      -1.204400     -0.2250000    
 O    7.916200     -0.3671000      -1.743700    
 N   -2.025700       1.771200     -0.7020000    
 N   -6.465600       1.232200      0.6437000    
 N   -7.215800      -1.000300      0.1255000    
 N   -5.753400      -2.791200     -0.3331000    
 N   -8.088100      -3.067200     -0.3758000    
 N    4.049200     -2.0999999E-03  0.3695000    
 C   -4.144900       1.647500       1.264700    
 C   -3.740300      0.4074000      0.4147000    
 C   -3.008000       2.681900       1.333800    
 C   -3.127300      0.8330000     -0.9341000    
 C   -5.456900       2.265800      0.7526000    
 C   -2.417800       3.017300     -3.8400002E-02
 C   -4.925700     -0.5138000      0.1943000    
 C   -6.203700     -8.7499999E-02  0.3227000    
 C  -0.6935000       1.372500     -0.7415000    
 C   -4.661800      -1.963000     -0.1340000    
 C   0.1967000       1.721600      0.2921000    
 C  -0.1984000      0.6077000      -1.815100    
 C   -6.960100      -2.308900     -0.2000000    
 C    1.532200       1.320800      0.2535000    
 C    1.137000      0.2068000      -1.853600    
 C    2.002300      0.5634000     -0.8194000    
 C    3.394500      0.1443000     -0.8589000    
 C    5.436100     -0.3884000      0.4947000    
 C    6.389800      0.8122000      0.4721000    
 C    7.885600      0.4790000      0.5409000    
 C    5.562700      -1.246400       1.736700    
 C    8.373800     -0.3747000     -0.6095000    
 H   -4.333200       1.299900       2.291800    
 H   -2.974700     -0.1308000      0.9912000    
 H   -3.363300       3.601500       1.813600    
 H   -2.222700       2.278700       1.984100    
 H   -3.880300       1.320400      -1.566900    
 H   -2.796000     -4.9899999E-02  -1.492200    
 H   -5.326000       2.738300     -0.2262000    
 H   -5.805200       3.040600       1.444200    
 H   -3.169300       3.526100     -0.6539000    
 H   -1.586100       3.725400      5.4900002E-02
 H   -7.443600       1.496700      0.6966000    
 H   -8.164700     -0.6573000      0.2249000    
 H  -0.1240000       2.308300       1.147500    
 H  -0.8475000      0.3291000      -2.642000    
 H    2.177900       1.645700       1.064000    
 H    1.484000     -0.3840000      -2.697500    
 H   -8.027400      -4.049800     -0.6194000    
 H   -9.015100      -2.670200     -0.2671000    
 H    5.651400      -1.033600     -0.3659000    
 H    3.535500      0.1365000       1.233600    
 H    6.150900       1.473700       1.315200    
 H    6.200000       1.398800     -0.4364000    
 H    8.099600     -3.5399999E-02   1.484300    
 H    8.470300       1.405600      0.5312000    
 H    6.491000      -2.847200       2.351200    
 H    9.686100      -1.772800     -0.9632000    


%chk=000131321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131321

0 1
O -3.388373 -1.589328 -1.793841
O 3.501210 -1.313441 -0.348142
O 7.779836 0.664169 1.759145
O 6.102502 2.259799 1.814292
O 9.180416 -2.506154 -0.743955
O 7.199576 -2.541409 0.458784
N -2.063532 2.064361 0.084174
N -6.721935 0.833345 0.752335
N -7.292011 -0.886455 -0.794162
N -5.656437 -2.162102 -2.021229
N -7.944371 -2.609237 -2.281543
N 4.352791 0.671754 0.491322
C -4.376932 1.016396 1.613781
C -3.854246 0.329163 0.315320
C -3.307922 1.955407 2.239974
C -3.150883 1.363585 -0.619409
C -5.713943 1.754564 1.322694
C -2.603970 2.870726 1.199340
C -4.956989 -0.399997 -0.418107
C -6.289535 -0.149977 -0.133089
C -0.761109 1.524039 0.119567
C -4.599393 -1.391338 -1.448794
C 0.303372 2.209011 0.787035
C -0.443146 0.290940 -0.539037
C -6.909268 -1.894481 -1.698409
C 1.612290 1.699768 0.781313
C 0.870680 -0.201672 -0.535818
C 1.929410 0.486085 0.113323
C 3.294898 -0.123565 0.067694
C 5.725205 0.159637 0.565252
C 6.329651 -0.018685 -0.871933
C 7.761179 -0.581747 -0.971958
C 6.509884 1.137938 1.427114
C 7.957124 -1.944445 -0.335844
H -4.610320 0.219974 2.349885
H -3.081344 -0.416143 0.588904
H -3.768008 2.579081 3.033873
H -2.531375 1.334606 2.726519
H -3.885986 2.122764 -0.955078
H -2.779850 0.851546 -1.518284
H -5.548805 2.595225 0.620304
H -6.125313 2.180975 2.255065
H -3.320885 3.604291 0.779672
H -1.806707 3.447656 1.691505
H -7.586638 0.682420 1.273621
H -8.252851 -0.538122 -0.784357
H 0.116731 3.159418 1.296388
H -1.220766 -0.300792 -1.033816
H 2.378210 2.265414 1.326845
H 1.104370 -1.152157 -1.026977
H -7.663334 -3.314416 -2.959923
H -8.879567 -2.647466 -1.883434
H 5.736996 -0.840757 1.039038
H 4.213626 1.640265 0.788247
H 6.294825 0.958428 -1.389672
H 5.622706 -0.695909 -1.382958
H 8.497994 0.094812 -0.499947
H 8.054534 -0.661654 -2.034954
H 8.238440 1.335797 2.334323
H 9.294691 -3.387513 -0.294481


