%chk=000037963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037963

0 1
 O   -1.877200      0.7227000     -7.9300001E-02
 O  -0.3311000      0.5080000       1.592000    
 O    5.841900      0.4001000     -0.5131000    
 N   -3.917100      -1.270800     -0.2081000    
 N   0.2862000      0.6694000     -0.6603000    
 C   -4.188900      7.3700003E-02  0.2781000    
 C   -2.921900      0.6893000      0.8937000    
 C   -4.748100      0.9490000     -0.8525000    
 C   -3.195200       2.116400       1.378700    
 C   -5.010400       2.374100     -0.3662000    
 C   -3.381500      -2.144400      0.8357000    
 C   -5.123100      -1.946100     -0.6864000    
 C   -3.770300       2.997900      0.2686000    
 C   -3.546600      -3.533300      0.2363000    
 C   -4.688800      -3.402100     -0.7665000    
 C  -0.5961000      0.6216000      0.4015000    
 C    1.697500      0.5994000     -0.6231000    
 C    2.357200      0.4666000      0.5987000    
 C    2.430700      0.6647000      -1.808000    
 C    3.749900      0.3988000      0.6357000    
 C    3.823300      0.5970000      -1.771200    
 C    4.483000      0.4640000     -0.5493000    
 C    6.428600     -0.3541000      0.5466000    
 C    7.759900     -0.9159000      7.1800001E-02
 C    8.438200      -1.746200       1.146600    
 H   -4.950900      3.0600000E-02   1.071000    
 H   -2.621700      0.1067000       1.773100    
 H   -4.050100      0.9770000      -1.699300    
 H   -5.696900      0.5553000      -1.233300    
 H   -2.271900       2.578700       1.746500    
 H   -3.901600       2.087800       2.217500    
 H   -5.826600       2.363400      0.3669000    
 H   -5.345100       2.994000      -1.205700    
 H   -2.325400      -1.960700       1.055200    
 H   -3.957700      -2.074400       1.767300    
 H   -5.448400      -1.597800      -1.671300    
 H   -5.958100      -1.847800      1.9200001E-02
 H   -3.008900       3.161500     -0.5039000    
 H   -4.023000       3.983100      0.6768000    
 H   -3.767700      -4.279000       1.006600    
 H   -2.632700      -3.846300     -0.2824000    
 H   -4.328000      -3.647100      -1.772500    
 H   -5.514600      -4.081100     -0.5314000    
 H  -0.1273000      0.7668000      -1.584500    
 H    1.856900      0.4168000       1.555800    
 H    1.929000      0.7685000      -2.766700    
 H    4.226200      0.3239000       1.608800    
 H    4.389300      0.6486000      -2.697300    
 H    5.791800      -1.198800      0.8398000    
 H    6.583100      0.3035000       1.409800    
 H    8.417600     -9.3699999E-02 -0.2347000    
 H    7.603000      -1.526400     -0.8256000    
 H    9.393600      -2.133800      0.7796000    
 H    7.815300      -2.598400       1.436500    
 H    8.636200      -1.145200       2.039900    


%chk=000037963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037963

0 1
O -2.068257 1.592384 0.323197
O -0.701313 0.291587 1.751265
O 5.493667 -0.325448 -0.787737
N -3.376827 -1.018746 0.076433
N 0.049795 1.164865 -0.316511
C -4.137384 0.231397 0.299882
C -3.285927 1.247531 1.113939
C -4.625592 0.883181 -1.017043
C -4.039626 2.561736 1.372628
C -5.400084 2.195958 -0.745675
C -3.144608 -1.830882 1.307012
C -3.953303 -1.980166 -0.903115
C -4.552534 3.203961 0.064026
C -2.600678 -3.180771 0.772494
C -3.092631 -3.253163 -0.711834
C -0.878411 0.931049 0.681349
C 1.411914 0.754573 -0.357830
C 2.029506 0.005215 0.673691
C 2.175757 1.121125 -1.500379
C 3.387005 -0.368546 0.562166
C 3.524795 0.747684 -1.611279
C 4.141413 -0.001622 -0.578650
C 6.180933 -1.099069 0.261106
C 7.621349 -1.316319 -0.209162
C 8.440737 -2.126324 0.819281
H -5.048500 0.027455 0.932166
H -2.941579 0.799637 2.063301
H -3.745954 1.087185 -1.657574
H -5.280574 0.180763 -1.564365
H -3.375240 3.255997 1.919249
H -4.896683 2.336919 2.040236
H -6.327807 1.962467 -0.181719
H -5.716260 2.645627 -1.706545
H -2.427460 -1.329877 1.976915
H -4.105342 -1.988904 1.864189
H -3.897610 -1.585258 -1.931404
H -5.028969 -2.204868 -0.677670
H -3.685216 3.528494 -0.542483
H -5.146388 4.108634 0.296116
H -2.969659 -4.026838 1.378539
H -1.498521 -3.192804 0.814052
H -2.230064 -3.234733 -1.399837
H -3.673993 -4.167717 -0.924334
H -0.309280 1.683550 -1.120255
H 1.446113 -0.278988 1.551797
H 1.710661 1.702129 -2.306850
H 3.837831 -0.946190 1.374456
H 4.118235 1.025631 -2.487375
H 5.662805 -2.070264 0.410502
H 6.156644 -0.535538 1.218076
H 8.091721 -0.330854 -0.384305
H 7.602251 -1.840570 -1.182808
H 9.475573 -2.276243 0.464229
H 7.996782 -3.124820 0.992033
H 8.492288 -1.605714 1.794115


