%chk=000049551.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049551

0 1
 O   -1.157500     -0.5900000      -2.333900    
 O   0.9750000      -1.267300     -0.6558000    
 O  -0.8594000      -2.549900     -8.4100001E-02
 N    3.597400     -0.7242000      0.2675000    
 C   -1.144700     -0.3062000     -0.9188000    
 C  -0.3794000      0.9935000     -0.6920000    
 C   -2.546200     -0.2989000     -0.3029000    
 C  -0.3027000      0.5107000       1.795200    
 C   -1.799200      0.5028000       2.087400    
 C   3.8800001E-02   1.364000      0.6033000    
 C   -2.801400      2.4100000E-02   1.052600    
 C  -0.3568000      -1.514600     -0.4995000    
 C  -9.1300003E-02   1.867300      -1.758100    
 C   -3.654500     -0.6470000      -1.112900    
 C   0.7504000       2.560300      0.7971000    
 C   -4.133700     -3.2699998E-02   1.531100    
 C    3.284400      -1.905000     -0.5235000    
 C    1.846800      -2.341700     -0.2905000    
 C   0.6144000       3.054400      -1.552600    
 C   -4.957900     -0.6956000     -0.6154000    
 C    1.039800       3.398400     -0.2761000    
 C   -5.198600     -0.3922000      0.7121000    
 C    4.969100     -0.2780000      1.1900000E-02
 C    3.411100     -0.9926000       1.695600    
 C    5.187700      7.3000002E-03  -1.464200    
 C    3.668400      0.2530000       2.526400    
 H   0.2114000      0.9035000       2.683000    
 H   8.4299996E-02 -0.5042000       1.689900    
 H   -1.939700     -0.1106000       2.988400    
 H   -2.091500       1.527700       2.358400    
 H  -0.4116000       1.640600      -2.771800    
 H   -3.530100     -0.8910000      -2.164700    
 H    1.075000       2.852500       1.792900    
 H   -4.346400      0.2198000       2.569100    
 H   -1.578000      -1.453700      -2.487000    
 H    3.356600      -1.684100      -1.593600    
 H    3.964200      -2.737400     -0.3028000    
 H    1.638100      -3.186300     -0.9602000    
 H    1.644100      -2.691400      0.7264000    
 H   0.8290000       3.709300      -2.392100    
 H   -5.779200     -0.9704000      -1.270700    
 H    1.587900       4.321600     -0.1138000    
 H   -6.208100     -0.4248000       1.109300    
 H    5.169100      0.6663000      0.5288000    
 H    5.709200      -1.010200      0.3584000    
 H    2.377200      -1.264900       1.919400    
 H    4.051000      -1.812300       2.045500    
 H    6.125000      0.5603000      -1.594500    
 H    4.385800      0.6254000      -1.882900    
 H    5.283400     -0.9068000      -2.058400    
 H    3.289900      0.1009000       3.543600    
 H    3.157500       1.130100       2.117100    
 H    4.735400      0.4770000       2.622100    


%chk=000049551-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049551

0 1
O -1.530446 -1.055218 -2.325617
O 1.253667 -1.158142 -1.417741
O -0.030926 -2.244335 0.201410
N 3.311354 -1.104681 0.844233
C -1.028089 -0.374475 -1.108397
C -0.561052 1.020440 -1.534513
C -2.133760 -0.269490 -0.027907
C 0.541634 1.299809 0.756791
C -0.643517 1.044119 1.726880
C 0.155247 1.833496 -0.610642
C -1.925244 0.361988 1.233541
C 0.115997 -1.331459 -0.645652
C -0.892259 1.517726 -2.813396
C -3.419407 -0.786746 -0.334082
C 0.524163 3.141208 -1.007076
C -3.010696 0.400459 2.150337
C 3.558674 -1.523484 -0.555600
C 2.349616 -2.154834 -1.256689
C -0.519555 2.827110 -3.190996
C -4.482111 -0.739735 0.590268
C 0.190783 3.644615 -2.284912
C -4.272307 -0.149500 1.854682
C 4.388126 -0.205940 1.354608
C 3.086587 -2.261773 1.760594
C 4.516771 1.130436 0.597867
C 2.405815 -1.871071 3.085767
H 1.207621 2.031556 1.253656
H 1.156898 0.383679 0.656686
H -0.251250 0.457747 2.583894
H -0.956773 2.020078 2.148305
H -1.433548 0.869218 -3.506011
H -3.607062 -1.203548 -1.328038
H 1.080624 3.770608 -0.301331
H -2.851491 0.886066 3.121893
H -1.827771 -1.967105 -2.069559
H 3.851797 -0.633393 -1.137058
H 4.403633 -2.260167 -0.638680
H 2.626705 -2.434505 -2.287523
H 1.951588 -3.035189 -0.724722
H -0.780413 3.202770 -4.186773
H -5.461299 -1.150046 0.320272
H 0.485383 4.661225 -2.569439
H -5.081956 -0.102187 2.591326
H 4.151460 0.015417 2.410036
H 5.379403 -0.731530 1.354193
H 2.418984 -2.975426 1.249450
H 4.049347 -2.796885 1.968340
H 5.188540 1.809163 1.154872
H 3.530830 1.616510 0.501456
H 4.940757 1.012489 -0.414957
H 2.190111 -2.779477 3.677681
H 1.448609 -1.362676 2.876555
H 3.029708 -1.208115 3.711416


