%chk=000119495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119495

0 1
 O   -1.122700      0.9070000       1.882000    
 O   -2.068700      -2.661600       1.183000    
 O   -5.769300     -0.8696000      -1.159300    
 O   0.8325000      0.3665000       2.948300    
 O    1.588100       2.257700      0.2143000    
 O    2.237900      -2.977600       1.440400    
 N   -3.916600      3.3000000E-02 -2.4599999E-02
 N   -2.650400      -1.798000      0.1757000    
 N    1.818100     -7.0100002E-02  0.2952000    
 N    3.981100      -1.039900     -0.1654000    
 C   -1.705000      0.6358000      0.6014000    
 C   -2.796000     -0.4597000      0.7398000    
 C  -0.5308000      0.3228000     -0.3090000    
 C   -2.542000       1.812600      0.1306000    
 C   0.4525000     -0.3215000      0.6432000    
 C   -3.816900       1.389100     -0.2689000    
 C   -4.040800      -2.252000     -8.9599997E-02
 C   -4.739500     -0.9585000     -0.5136000    
 C   0.1241000      0.3435000       1.953500    
 C   -2.175900       3.141000     -7.3000002E-03
 C   -4.734400       2.241700     -0.8501000    
 C   -4.077300      -3.318200      -1.168200    
 C   -3.101700       4.028500     -0.5642000    
 C   -4.366400       3.581300     -0.9874000    
 C    2.725100      -1.132500      0.1264000    
 C    2.286900       1.253400      0.1126000    
 C    3.723400       1.399200     -0.2190000    
 C    2.191500      -2.504800      0.3118000    
 C    4.509600      0.2476000     -0.3414000    
 C    1.641800      -3.203100     -0.9200000    
 C    4.281700       2.668800     -0.4043000    
 C    5.866900      0.3856000     -0.6530000    
 C    1.125600      -4.589100     -0.5487000    
 C    2.704600      -3.299300      -2.011800    
 C    5.635600       2.790000     -0.7141000    
 C    6.427500       1.650400     -0.8384000    
 H   -3.136200     -0.5235000       1.785400    
 H  -0.1587000       1.227700     -0.7948000    
 H  -0.7929000     -0.3461000      -1.136800    
 H   0.2167000      -1.377500      0.7681000    
 H   -4.528000      -2.607100      0.8278000    
 H   -1.192300       3.488000      0.2901000    
 H   -5.710400       1.902300      -1.176600    
 H   -3.650600      -2.951600      -2.108800    
 H   -3.519200      -4.209400     -0.8628000    
 H   -5.109500      -3.619600      -1.376800    
 H   -1.337500      -3.039000      0.6664000    
 H   -2.836800       5.075600     -0.6855000    
 H   -5.063700       4.289000      -1.428100    
 H   0.7957000      -2.613100      -1.291000    
 H    3.681800       3.569800     -0.3115000    
 H    6.497500     -0.4945000     -0.7541000    
 H   0.3673000      -4.530900      0.2391000    
 H    1.934300      -5.230600     -0.1810000    
 H   0.6706000      -5.080200      -1.415300    
 H    3.621400      -3.766600      -1.635900    
 H    2.341500      -3.892000      -2.858300    
 H    2.967800      -2.309500      -2.398700    
 H    6.073400       3.773500     -0.8587000    
 H    7.482100       1.745800      -1.080100    


%chk=000119495-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000119495

0 1
O -1.085608 0.787786 1.942105
O -1.818676 -2.659001 0.211295
O -6.183327 -0.688449 -0.569294
O 1.081003 0.354139 2.679315
O 1.584032 2.291046 0.272201
O 0.621656 -2.556300 -1.209958
N -4.180052 0.024638 0.479993
N -2.758007 -1.612459 -0.294905
N 1.740172 0.005663 -0.234321
N 3.762684 -0.961274 -1.125487
C -1.850957 0.685658 0.632588
C -2.832550 -0.536524 0.746194
C -0.757598 0.539472 -0.452658
C -2.786654 1.872556 0.510854
C 0.382136 -0.154051 0.320054
C -4.137016 1.443379 0.426253
C -4.163041 -2.183742 -0.324143
C -5.013482 -0.896126 -0.163422
C 0.247136 0.373517 1.765584
C -2.472548 3.240051 0.458998
C -5.201982 2.350084 0.276582
C -4.470321 -2.960160 -1.602972
C -3.531552 4.171577 0.318775
C -4.873999 3.726809 0.222101
C 2.493841 -1.069568 -0.744558
C 2.292799 1.334629 -0.156011
C 3.692070 1.451338 -0.593792
C 1.863774 -2.439214 -0.985204
C 4.389452 0.289221 -1.054301
C 2.799422 -3.638870 -0.939511
C 4.353300 2.703697 -0.540067
C 5.748669 0.400702 -1.459958
C 2.184145 -4.870334 -1.630124
C 3.134975 -3.925053 0.560532
C 5.697106 2.800471 -0.940602
C 6.393807 1.646377 -1.400713
H -2.759642 -0.969243 1.766659
H -0.440085 1.532358 -0.802368
H -1.124635 -0.068421 -1.292975
H 0.156639 -1.228524 0.388718
H -4.309521 -2.831455 0.570526
H -1.432630 3.575076 0.540060
H -6.233173 1.997585 0.198760
H -4.250101 -2.345239 -2.491776
H -3.866566 -3.882748 -1.646133
H -5.539594 -3.232268 -1.624722
H -1.157027 -2.763837 -0.532229
H -3.312503 5.243875 0.288323
H -5.678415 4.461836 0.108117
H 3.742235 -3.335303 -1.429644
H 3.796019 3.572809 -0.176730
H 6.260546 -0.499526 -1.812296
H 1.961420 -4.668565 -2.692704
H 1.241247 -5.171138 -1.141131
H 2.889007 -5.719011 -1.578474
H 2.225700 -4.204737 1.123283
H 3.844964 -4.768906 0.613578
H 3.602360 -3.054128 1.051857
H 6.212811 3.765258 -0.897366
H 7.440535 1.733062 -1.710753


