%chk=000158741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158741

0 1
 O  -0.4802000      -4.129400      0.1783000    
 O   -1.570500     -0.6381000     -0.2463000    
 O   -2.798500     -0.8563000       1.694000    
 O   -5.347500     -0.8402000      -1.318500    
 O    8.811600      0.3432000      0.9521000    
 O    8.110800      9.8899998E-02  -1.205400    
 N   -4.752000      0.5534000      0.4489000    
 C   -1.285400      -3.008700     -0.2093000    
 C   -1.736500      -3.971500      0.8504000    
 C  -0.6972000      -1.684800      0.1885000    
 C   -1.828400      -3.121000      -1.583500    
 C   0.6739000      -1.424100     -0.3778000    
 C   -3.396000      0.8264000      3.8500000E-02
 C   -2.889100       2.189300      0.5571000    
 C   -2.586000     -0.3240000      0.6116000    
 C    1.809900      -1.155300      0.2851000    
 C   -1.463200       2.476500      0.1084000    
 C   -3.815800       3.340300      0.1374000    
 C   -1.027800       2.050400      -1.146600    
 C  -0.5918000       3.166000      0.9517000    
 C    3.114100     -0.9091000     -0.2895000    
 C   -5.613700     -0.2601000     -0.2691000    
 C   0.2788000       2.313700      -1.558000    
 C   0.7147000       3.429300      0.5401000    
 C    1.149900       3.003100     -0.7148000    
 C   -6.958000     -0.3955000      0.3943000    
 C    4.198200     -0.6471000      0.4572000    
 C    5.505900     -0.3969000     -0.1102000    
 C    6.583400     -0.1360000      0.6421000    
 C    7.886300      0.1073000     -6.8999999E-03
 H   -1.711900      -3.665900       1.888600    
 H   -2.522900      -4.677600      0.6145000    
 H  -0.5970000      -1.641800       1.282100    
 H   -1.100200      -2.793700      -2.332300    
 H   -2.102200      -4.153400      -1.829100    
 H   -2.731800      -2.512900      -1.697300    
 H   0.7292000      -1.447700      -1.466300    
 H   -3.395700      0.7597000      -1.054000    
 H   -2.891300       2.149500       1.656200    
 H    1.758100      -1.120400       1.372300    
 H   -3.895500       3.407400     -0.9536000    
 H   -3.436900       4.302300      0.5009000    
 H   -4.823900       3.212400      0.5441000    
 H   -5.058300      0.9139000       1.348500    
 H   -1.678400       1.550600      -1.855400    
 H  -0.9189000       3.504800       1.931100    
 H    3.187400     -0.9422000      -1.373800    
 H   0.6158000       1.989400      -2.538300    
 H    1.393200       3.966300       1.196400    
 H    2.166900       3.208800      -1.035600    
 H   -7.319500      0.5815000      0.7280000    
 H   -7.678500     -0.8096000     -0.3164000    
 H   -6.872600      -1.065500       1.254100    
 H    4.117100     -0.6144000       1.541600    
 H    5.584600     -0.4296000      -1.194100    
 H    6.531400     -9.7900003E-02   1.725500    
 H    9.700300      0.5110000      0.5719000    


%chk=000158741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158741

0 1
O 0.048100 -3.540319 1.689934
O -1.574393 -0.488086 0.076608
O -2.973079 -0.442024 1.949999
O -5.570296 0.252907 -2.139437
O 9.318747 -1.348564 -0.505156
O 8.225989 0.614760 -1.123468
N -5.023028 0.301909 0.121465
C -0.706858 -2.728817 0.646019
C -1.464675 -3.481423 1.696913
C -0.507704 -1.221746 0.860499
C -0.635371 -3.248260 -0.776232
C 0.809484 -0.657129 0.390885
C -3.641030 0.742600 -0.100907
C -3.424896 2.262472 0.274121
C -2.723335 -0.126629 0.759717
C 2.009447 -1.314277 0.464998
C -1.958351 2.665507 0.106065
C -4.384409 3.155964 -0.547703
C -1.362450 2.753723 -1.179593
C -1.159862 2.948982 1.242663
C 3.260899 -0.702457 0.058591
C -5.899285 0.059405 -0.929775
C -0.006569 3.119779 -1.322795
C 0.198526 3.316977 1.104351
C 0.780764 3.403568 -0.180956
C -7.280789 -0.444516 -0.526019
C 4.490551 -1.325761 0.134332
C 5.721253 -0.690141 -0.278971
C 6.963436 -1.278171 -0.216336
C 8.162765 -0.554543 -0.659396
H -1.902405 -2.936959 2.541666
H -1.953394 -4.423116 1.419346
H -0.677112 -0.988356 1.931982
H 0.327584 -2.988772 -1.247855
H -0.746598 -4.345314 -0.789498
H -1.443229 -2.801692 -1.383549
H 0.767591 0.377132 0.021446
H -3.415766 0.597572 -1.170901
H -3.687100 2.360643 1.347362
H 2.045747 -2.338714 0.860118
H -4.222992 3.035534 -1.632909
H -4.227413 4.217630 -0.288067
H -5.436704 2.897650 -0.338386
H -5.293693 0.091999 1.085528
H -1.957103 2.538128 -2.075224
H -1.606494 2.885532 2.243003
H 3.212699 0.325784 -0.332344
H 0.436250 3.187397 -2.322968
H 0.797360 3.539123 1.994729
H 1.829977 3.699284 -0.293186
H -7.392940 -0.604661 0.560089
H -8.042573 0.281205 -0.860158
H -7.483854 -1.392949 -1.052007
H 4.548088 -2.351561 0.526419
H 5.666741 0.336169 -0.672174
H 7.106604 -2.295719 0.161492
H 10.105550 -0.823962 -0.814968


