%chk=000131499.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131499

0 1
 O   0.3393000     -0.3822000      -1.621300    
 O   -1.212800       1.245500       1.623700    
 O    5.436500      -1.696000     -0.5398000    
 O    6.449800      0.2078000       1.095800    
 N   0.9560000       1.245900     -9.0000004E-02
 N   -2.540900       1.922500     -0.1551000    
 N    5.265600      0.4196000      0.3776000    
 C    2.331400     -0.7635000     -0.3270000    
 C    2.099600      -2.284600     -0.4311000    
 C    1.362900      -2.916800      0.7689000    
 C  -0.1393000       2.148800     -0.3553000    
 C   0.2238000       3.630400     -0.1204000    
 C    1.104300      4.0399998E-02 -0.7547000    
 C    3.559000     -0.3288000      -1.147600    
 C    1.213100      -4.432600      0.6322000    
 C  -1.9300001E-02  -2.274900      0.9203000    
 C   -1.331700       1.705900      0.4901000    
 C   0.5647000       3.942000       1.340700    
 C    1.379300       4.064200      -1.027600    
 C    4.854700     -0.6202000     -0.4168000    
 C   -3.819400       1.624100      0.4481000    
 C   -4.265300      0.2209000      0.1546000    
 C   -5.033100     -4.4100001E-02 -0.9795000    
 C   -3.911600     -0.8181000       1.015600    
 C   -5.447200      -1.347800      -1.252500    
 C   -4.325800      -2.121800      0.7425000    
 C   -5.093700      -2.386600     -0.3916000    
 H    2.527700     -0.5295000      0.7286000    
 H    1.567500      -2.530000      -1.359300    
 H    3.067900      -2.794200     -0.5064000    
 H    1.938900      -2.718100       1.681500    
 H  -0.4085000       2.025700      -1.412900    
 H  -0.6521000       4.238300     -0.3839000    
 H    3.515900      0.7451000      -1.369800    
 H    3.583400     -0.8382000      -2.118600    
 H    1.608100       1.476400      0.6532000    
 H    2.194100      -4.909800      0.5390000    
 H   0.7158000      -4.857900       1.510300    
 H   0.6239000      -4.694000     -0.2533000    
 H  -0.5998000      -2.799600       1.688300    
 H   5.1500000E-02  -1.237000       1.253200    
 H  -0.5952000      -2.321100     -9.4999997E-03
 H    1.434200       3.377200       1.690600    
 H   0.7975000       5.006600       1.457300    
 H  -0.2770000       3.724900       2.005000    
 H    2.309500       3.542600     -0.7786000    
 H    1.145600       3.862500      -2.078300    
 H    1.563500       5.139400     -0.9290000    
 H   -2.543500       2.306600      -1.095400    
 H   -3.759100       1.786800       1.530800    
 H   -4.544400       2.347600      5.8300000E-02
 H    4.864900       1.349900      0.4112000    
 H   -5.313500      0.7564000      -1.659100    
 H   -3.315500     -0.6269000       1.903600    
 H    6.084100     -8.3600000E-02   1.948100    
 H   -6.044500      -1.554200      -2.135900    
 H   -4.049800      -2.930800       1.412600    
 H   -5.415600      -3.401700     -0.6044000    


%chk=000131499-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131499

0 1
O 1.582360 0.032667 -1.916243
O -1.176011 1.078549 1.807430
O 5.847264 -1.426465 0.761530
O 7.009223 0.472178 2.177896
N 0.906409 0.938059 0.119902
N -2.694111 1.607781 0.120285
N 5.897543 0.775881 1.318384
C 2.839650 -0.608833 0.101396
C 2.883776 -2.122036 -0.250295
C 1.881537 -3.018627 0.525425
C -0.280904 1.606388 -0.425095
C -0.059938 3.134480 -0.719869
C 1.716239 0.125213 -0.655624
C 4.175573 0.108373 -0.298124
C 2.180265 -4.505927 0.215931
C 0.398216 -2.695138 0.218958
C -1.420330 1.398707 0.598558
C 0.276750 3.931181 0.560684
C 1.026594 3.326241 -1.801692
C 5.342134 -0.256446 0.602070
C -3.897997 1.472286 0.964689
C -4.877992 0.434504 0.428002
C -6.235801 0.773206 0.210814
C -4.447241 -0.890464 0.158426
C -7.152459 -0.193804 -0.263373
C -5.359654 -1.856447 -0.317503
C -6.716195 -1.511170 -0.529657
H 2.690750 -0.489000 1.194816
H 2.708787 -2.222634 -1.340490
H 3.907320 -2.484406 -0.043076
H 2.053619 -2.857231 1.612291
H -0.523349 1.107436 -1.385117
H -1.022623 3.515474 -1.124388
H 4.029100 1.206712 -0.286415
H 4.422710 -0.176038 -1.337221
H 0.910304 0.847910 1.143585
H 3.226681 -4.764269 0.462809
H 1.515691 -5.175479 0.793250
H 2.023651 -4.719196 -0.859327
H -0.268751 -3.414695 0.730315
H 0.111068 -1.682620 0.556365
H 0.204592 -2.759829 -0.868890
H 1.215302 3.558620 1.011419
H 0.419244 5.000109 0.319250
H -0.518993 3.855238 1.323301
H 2.010421 2.989388 -1.427697
H 0.806576 2.742875 -2.712654
H 1.111751 4.394358 -2.074236
H -2.825238 1.796601 -0.875876
H -3.523493 1.188828 1.965798
H -4.400506 2.454146 1.059756
H 5.669534 1.767884 1.315872
H -6.579011 1.795517 0.414627
H -3.398002 -1.162388 0.326759
H 7.094629 -0.526006 2.014054
H -8.200640 0.080728 -0.426341
H -5.016727 -2.877285 -0.519623
H -7.423894 -2.261687 -0.898823


