%chk=000124199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124199

0 1
 O    4.022800       1.335900       2.295500    
 O    7.371200       2.505200      -1.286400    
 O    5.360700       2.026200      -2.224000    
 O    7.575600      -3.197100      -1.161500    
 O    8.309500      -2.257900      0.7690000    
 N   -3.978300     -0.3189000     -0.4633000    
 N   -7.625400     -0.6320000     -0.2111000    
 N   -7.039900       1.693200     -5.5799998E-02
 N   -4.852600       2.428500     -0.1625000    
 N   -9.279700       1.009900      4.6100002E-02
 N    4.416300      0.9368000      4.5499999E-02
 C   -3.612300      -1.677600     -0.8484000    
 C   -1.876900     -0.6586000      0.5257000    
 C   -2.119400      -1.767100     -0.5163000    
 C   -2.854100      0.4408000      5.5900000E-02
 C   -4.494500      -2.666400     -8.9000002E-02
 C   -5.295100      3.3300001E-02 -0.3346000    
 C   -5.961100      -2.396300     -0.4465000    
 C  -0.4356000     -0.2267000      0.6980000    
 C   -6.309800     -0.9297000     -0.3268000    
 C   -5.743500       1.336600     -0.1839000    
 C   0.2673000      0.2912000     -0.3868000    
 C   0.1804000     -0.3505000       1.940700    
 C    1.595100      0.6878000     -0.2279000    
 C    1.508200      4.6300001E-02   2.099800    
 C   -7.914200      0.6742000     -8.0899999E-02
 C    2.215500      0.5654000       1.015500    
 C    3.599500      0.9809000       1.181200    
 C    5.816500       1.295100      5.4000001E-02
 C    6.729400      0.1085000      0.3863000    
 C    6.693500      -1.060700     -0.6063000    
 C    6.129100       1.954100      -1.273700    
 C    7.601600      -2.210500     -0.2273000    
 H   -3.752400      -1.816800      -1.928300    
 H   -2.248600      -1.038000       1.489300    
 H   -1.821300      -2.754000     -0.1467000    
 H   -1.540900      -1.579600      -1.429300    
 H   -2.422400       1.064300     -0.7340000    
 H   -3.099100       1.063500      0.9233000    
 H   -4.231200      -3.698600     -0.3451000    
 H   -4.353600      -2.552100      0.9940000    
 H   -6.154800      -2.709400      -1.479500    
 H   -6.611100      -2.986900      0.2089000    
 H  -0.1992000      0.4015000      -1.361600    
 H  -0.3574000     -0.7542000       2.794300    
 H    2.098200       1.115800      -1.089900    
 H    1.974500     -6.1299998E-02   3.075600    
 H   -4.080400       2.412300     -0.8167000    
 H   -5.276000       3.336100     -5.2000000E-03
 H   -9.545800       1.979600      0.1469000    
 H   -9.975000      0.2765000      3.3100002E-02
 H    4.049000      0.5639000     -0.8239000    
 H    5.948300       2.065000      0.8249000    
 H    6.467200     -0.2722000       1.382400    
 H    7.764900      0.4650000      0.4635000    
 H    7.001200     -0.7091000      -1.597200    
 H    5.673800      -1.455700     -0.6740000    
 H    7.566700       2.945700      -2.140800    
 H    8.176700      -3.936500     -0.9287000    


%chk=000124199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124199

0 1
O 4.182293 0.694275 2.290101
O 7.456994 2.715698 -1.061816
O 5.535032 2.093121 -2.206620
O 7.850710 -2.991222 -1.110308
O 8.523664 -2.052248 0.904168
N -4.035643 -0.275146 -0.671569
N -7.710249 -0.455570 0.127693
N -7.076518 1.877509 -0.231031
N -4.910375 2.461314 -0.894818
N -9.257098 1.288777 0.394518
N 4.456659 0.928405 0.003710
C -3.791434 -1.726082 -0.944921
C -1.955365 -0.900197 0.431479
C -2.266995 -1.864857 -0.752503
C -2.919311 0.296018 0.151809
C -4.619133 -2.631496 0.007066
C -5.386758 0.104985 -0.398162
C -6.125968 -2.320623 -0.116601
C -0.496130 -0.499684 0.578265
C -6.411400 -0.830561 -0.112873
C -5.801338 1.479528 -0.501838
C 0.211946 0.113936 -0.490339
C 0.193972 -0.710862 1.799373
C 1.562387 0.488841 -0.348074
C 1.542185 -0.332538 1.949897
C -7.969621 0.886993 0.092708
C 2.247858 0.263823 0.875588
C 3.683864 0.643439 1.118047
C 5.838972 1.396611 0.146781
C 6.848773 0.263672 0.510811
C 6.887099 -0.864936 -0.533428
C 6.220507 2.089271 -1.156720
C 7.831202 -1.981648 -0.133400
H -4.088389 -1.951650 -1.988409
H -2.275405 -1.391921 1.369423
H -1.961605 -2.902657 -0.534836
H -1.734046 -1.534382 -1.662590
H -2.370294 1.087050 -0.400263
H -3.296693 0.748000 1.088454
H -4.430104 -3.694429 -0.235958
H -4.288225 -2.467618 1.050988
H -6.527455 -2.745678 -1.059070
H -6.702236 -2.791578 0.699405
H -0.296060 0.304340 -1.443460
H -0.335204 -1.174653 2.640661
H 2.057499 0.983294 -1.192911
H 2.075460 -0.481516 2.894377
H -4.009948 2.202909 -1.287380
H -5.264630 3.409921 -0.996844
H -9.489426 2.276540 0.363681
H -9.950782 0.582215 0.619171
H 4.073918 0.913811 -0.945127
H 5.884892 2.134898 0.971041
H 6.545353 -0.133957 1.493472
H 7.849815 0.712454 0.632093
H 7.203538 -0.502546 -1.531398
H 5.881664 -1.305344 -0.676775
H 7.684688 3.150861 -1.927783
H 8.473992 -3.712214 -0.821452


