%chk=000107938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107938

0 1
 O   -2.971500      -1.715700      -1.210700    
 O   0.5739000      0.3740000     -0.5016000    
 O    4.095700      0.2758000     -0.7057000    
 O    3.688700      0.9797000       2.069500    
 O    1.969600     -0.1381000      -2.256000    
 N   -3.525100      0.6684000      0.9470000    
 C   -2.296700     -2.6100000E-02  0.4547000    
 C   -2.714200      -1.473300      0.1679000    
 C   -4.650200     -0.2657000      0.8248000    
 C   -4.002100      -1.634600      0.9613000    
 C   -1.773300      0.8038000     -0.6735000    
 C   -3.683400       1.883300      0.1215000    
 C   -2.554500       1.871900     -0.8557000    
 C  -0.5293000      0.4618000      -1.408700    
 C    2.876900      6.6999998E-03  6.3999998E-03
 C    3.026400      -1.424400      0.6049000    
 C    2.686000       1.130400       1.057000    
 C    1.778300      6.3800000E-02  -1.062300    
 C    3.414400      -2.507400     -0.4059000    
 C    1.774500      -1.876600       1.375300    
 C    2.815700       2.542200      0.4898000    
 H   -1.580400     -1.6600000E-02   1.286200    
 H   -1.961300      -2.193300      0.5067000    
 H   -5.141100     -0.2011000     -0.1546000    
 H   -5.401100     -8.9800000E-02   1.600700    
 H   -3.778500      -1.841700       2.014800    
 H   -4.649100      -2.425400      0.5699000    
 H   -3.608200       2.767000      0.7640000    
 H   -4.643100       1.929100     -0.4047000    
 H   -2.390100       2.642800      -1.594500    
 H  -0.3085000       1.234800      -2.155200    
 H  -0.6425000     -0.4918000      -1.932600    
 H   -2.126500      -1.945500      -1.631000    
 H    3.855800      -1.398400       1.324800    
 H    1.716600       1.037000       1.558300    
 H    2.666800      -2.607000      -1.198900    
 H    3.501000      -3.481700      8.8600002E-02
 H    4.384500      -2.302200     -0.8684000    
 H    1.954400      -2.841300       1.862800    
 H   0.9140000      -2.001300      0.7104000    
 H    1.505400      -1.165400       2.161200    
 H    2.658100       3.282300       1.282400    
 H    2.086300       2.733800     -0.3020000    
 H    3.821500       2.725500      9.7099997E-02
 H    4.141400     -0.3041000      -1.483900    
 H    3.528000       1.660300       2.745100    


%chk=000107938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107938

0 1
O -2.690472 -1.610733 -1.739544
O 0.613070 0.518462 -0.366278
O 4.214241 -0.177487 -0.610960
O 4.336739 1.026490 1.876133
O 2.084209 0.306056 -2.156348
N -3.603464 0.209760 0.832531
C -2.247718 -0.256097 0.356818
C -2.484236 -1.664377 -0.280483
C -4.604808 -0.869529 0.608373
C -3.745011 -2.152297 0.471907
C -1.779872 0.849687 -0.580698
C -3.893280 1.556487 0.262059
C -2.694250 1.854520 -0.625735
C -0.506733 0.761075 -1.358656
C 2.948666 0.023018 0.125353
C 2.712065 -1.288764 0.952285
C 3.168648 1.289109 1.027020
C 1.854109 0.284128 -0.918098
C 2.364638 -2.471319 0.018269
C 1.690852 -1.153944 2.103523
C 3.358435 2.583859 0.218020
H -1.544072 -0.370534 1.206364
H -1.618609 -2.334176 -0.162589
H -5.202772 -0.695908 -0.323002
H -5.323368 -0.941646 1.444519
H -3.458883 -2.523702 1.472785
H -4.255060 -2.963383 -0.073060
H -4.002634 2.327591 1.053067
H -4.847376 1.555940 -0.313698
H -2.597256 2.778861 -1.204197
H -0.278002 1.684871 -1.917049
H -0.515011 -0.093956 -2.058818
H -3.437883 -0.989499 -1.936691
H 3.703523 -1.484868 1.404634
H 2.323283 1.397134 1.723946
H 1.348003 -2.366340 -0.409646
H 2.390837 -3.421386 0.581872
H 3.088186 -2.547535 -0.811927
H 1.564526 -2.136837 2.594077
H 0.702197 -0.824394 1.737867
H 2.039277 -0.443425 2.872318
H 3.621063 3.402445 0.908964
H 2.434912 2.869980 -0.319047
H 4.174556 2.472869 -0.518592
H 4.030260 -0.018120 -1.578452
H 5.067674 0.753814 1.258064


