%chk=000091503.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091503

0 1
 O  -0.7086000      -1.430800       2.518100    
 O    2.828200       2.926400      0.3553000    
 N   -1.739400     -0.5623000     -0.9703000    
 N    2.890200      -2.506300     -0.6668000    
 C   -4.008300      0.1083000      0.1111000    
 C   -3.275200       1.349200     -0.4474000    
 C   -1.829100      -1.113600      0.4089000    
 C   -3.099200     -0.6064000       1.127700    
 C   -1.878200      0.9140000     -0.9443000    
 C   -4.218000     -0.8573000      -1.071100    
 C   -2.866100      -1.118500      -1.758400    
 C   -3.183800       2.497100      0.5555000    
 C  -0.5657000     -0.8430000       1.228800    
 C   0.6677000      -1.394200      0.5586000    
 C   -2.551500       3.726800     -6.7299999E-02
 C    1.744400     -0.5771000      0.2123000    
 C   0.6915000      -2.751600      0.3001000    
 C    2.855200      -1.185200     -0.4094000    
 C    1.741900      0.8050000      0.4664000    
 C    1.821200      -3.255600     -0.3118000    
 C    3.934100     -0.3772000     -0.7579000    
 C    2.834400       1.589000      0.1074000    
 C    3.931700      0.9968000     -0.5056000    
 C    3.982700       3.666400     -3.9900001E-02
 H   -4.967900      0.3776000      0.5646000    
 H   -3.850400       1.710500      -1.312400    
 H   -1.951000      -2.203200      0.3297000    
 H   -2.869900      7.5800002E-02   1.952000    
 H   -3.636100      -1.457700       1.565200    
 H   -1.717700       1.303700      -1.958100    
 H   -1.074800       1.350800     -0.3468000    
 H   -4.925600     -0.4307000      -1.791700    
 H   -4.647800      -1.800400     -0.7126000    
 H   -2.723700      -2.196400      -1.904600    
 H   -2.863800     -0.6840000      -2.766100    
 H   -2.600200       2.212200       1.437400    
 H   -4.189800       2.754600      0.9076000    
 H  -0.5091000      0.2228000       1.432900    
 H   -1.503400       3.566200     -0.3351000    
 H   -3.092800       4.037600     -0.9668000    
 H   -2.581100       4.560000      0.6428000    
 H   -1.332700     -0.8958000       3.035800    
 H  -0.1160000      -3.421000      0.5715000    
 H   0.9268000       1.330400      0.9475000    
 H    1.906000      -4.313300     -0.5386000    
 H    4.805300     -0.8181000      -1.239100    
 H    4.818300       1.540600     -0.8138000    
 H    4.125800       3.638600      -1.125500    
 H    4.875300       3.339900      0.5045000    
 H    3.805800       4.711900      0.2330000    


%chk=000091503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091503

0 1
O -0.945631 -1.800715 2.542628
O 2.751656 2.788035 -0.240423
N -1.471444 -0.131694 -0.849939
N 3.070411 -2.836611 -0.243482
C -3.952268 0.115297 -0.124540
C -3.334486 1.529892 -0.345256
C -1.733451 -1.001105 0.341069
C -3.134960 -0.651740 0.957710
C -1.792143 1.302910 -0.554736
C -3.862008 -0.663058 -1.468674
C -2.366250 -0.601273 -1.955837
C -3.648992 2.539374 0.783339
C -0.571999 -0.960945 1.381196
C 0.715368 -1.553205 0.825840
C -3.139046 3.966621 0.480084
C 1.790718 -0.749854 0.291874
C 0.865916 -2.943792 0.815944
C 2.952493 -1.451934 -0.233491
C 1.788532 0.676057 0.258558
C 2.046363 -3.539936 0.275666
C 4.041542 -0.695768 -0.767097
C 2.874617 1.386870 -0.266150
C 4.018033 0.698989 -0.788593
C 3.858903 3.582482 -0.776506
H -5.006669 0.209152 0.196864
H -3.770342 1.937686 -1.282540
H -1.760046 -2.041639 -0.037081
H -3.034136 -0.009238 1.858057
H -3.668720 -1.570102 1.264461
H -1.400061 1.916182 -1.385017
H -1.241852 1.606894 0.355553
H -4.539309 -0.209754 -2.216977
H -4.188636 -1.710833 -1.322232
H -2.013099 -1.591121 -2.295687
H -2.249578 0.101222 -2.800993
H -3.201576 2.188272 1.736594
H -4.745819 2.571412 0.947492
H -0.411512 0.082263 1.722620
H -2.042330 3.984168 0.341395
H -3.599699 4.362585 -0.444830
H -3.382937 4.662682 1.303332
H -1.770551 -1.429555 2.947498
H 0.087205 -3.574892 1.252946
H 0.939352 1.252858 0.631645
H 2.156522 -4.631102 0.270457
H 4.896283 -1.258474 -1.154643
H 4.867484 1.251854 -1.200455
H 4.025975 3.372504 -1.850956
H 4.795878 3.405131 -0.213459
H 3.545901 4.629451 -0.649928


