%chk=000048298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048298

1 1
 O   -2.854300       3.254200     -0.8591000    
 N    2.082200      -1.339000      0.4937000    
 N   -2.282400      0.1916000      0.2286000    
 C    1.317200      -2.249000     -0.4564000    
 C   0.5477000      -1.413400      -1.489600    
 C    3.081800     -0.5062000     -0.2959000    
 C  -0.5045000     -0.5140000     -0.8724000    
 C    1.105800     -0.4160000       1.208700    
 C    2.824000      -2.184700       1.518700    
 C    3.864600      0.3764000      0.6649000    
 C  -5.9799999E-02  -2.333400      -2.556900    
 C  -0.5214000      0.8773000     -0.9635000    
 C   -1.570200     -0.9421000     -0.1504000    
 C   -1.636300       1.299400     -0.2715000    
 C    4.851600       1.266900     -8.8600002E-02
 C   0.4556000       1.742100      -1.659500    
 C   -2.075600      -2.206700      0.2695000    
 C   -3.450300      0.1378000      0.9898000    
 C    5.614400       2.179600      0.8583000    
 C   -2.076500       2.651300     -8.3700001E-02
 C   -3.203100      -2.261400       1.004100    
 C   -3.922400      -1.056200       1.383000    
 C   -1.588100       3.445500       1.128300    
 H    2.057200      -2.892200     -0.9490000    
 H   0.6680000      -2.888500      0.1495000    
 H    1.248400     -0.8104000      -2.069400    
 H    2.565500      0.1321000      -1.008900    
 H    3.741800      -1.193800     -0.8374000    
 H   0.2168000     -0.9639000       1.514100    
 H    1.569700     -0.1583000       2.171800    
 H    1.018600      0.5465000      0.7252000    
 H    2.110100      -2.894600       1.949400    
 H    3.625700      -2.728500       1.010100    
 H    3.218400      -1.561800       2.325000    
 H    4.454200     -0.2196000       1.368200    
 H    3.210000       1.028100       1.251900    
 H   0.7302000      -2.872800      -3.091700    
 H  -0.7341000      -3.082200      -2.132000    
 H  -0.6268000      -1.755800      -3.295900    
 H    4.315100       1.881700     -0.8209000    
 H    5.563900      0.6467000     -0.6452000    
 H   0.8910000       1.256900      -2.537000    
 H  -2.5699999E-02   2.656300      -2.025100    
 H    1.262600       2.048800     -0.9881000    
 H   -1.567300      -3.125300      3.1000001E-03
 H   -3.945600       1.067400       1.242700    
 H    6.187900       1.598400       1.587400    
 H    4.931800       2.838800       1.404100    
 H    6.314900       2.806400      0.2976000    
 H   -3.606000      -3.213200       1.332800    
 H   -4.825100      -1.147800       1.974600    
 H   -1.871400       2.923600       2.046000    
 H   -2.043500       4.439800       1.131400    
 H  -0.5012000       3.552000       1.078900    


%chk=000048298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048298

1 1
O -1.149565 3.872911 -0.401291
N 2.278699 -1.481519 0.604435
N -2.321447 0.442482 0.357542
C 1.338995 -2.179849 -0.430585
C 0.536642 -1.288551 -1.419303
C 3.160301 -0.426787 -0.115578
C -0.479460 -0.356045 -0.784184
C 1.470402 -0.829304 1.724821
C 3.154322 -2.575707 1.210830
C 4.310281 0.171894 0.712020
C -0.103791 -2.243473 -2.474002
C -0.489095 1.067033 -0.873266
C -1.623660 -0.749540 -0.025847
C -1.627419 1.568342 -0.160830
C 5.023875 1.279186 -0.110748
C 0.494548 1.928531 -1.623276
C -2.145353 -2.008234 0.390820
C -3.464277 0.364917 1.150320
C 6.210293 1.895703 0.659325
C -1.999365 2.989501 -0.047346
C -3.303065 -2.076332 1.168557
C -3.960359 -0.865483 1.555081
C -3.374087 3.441690 0.439788
H 2.003156 -2.844371 -1.012974
H 0.661670 -2.808900 0.173036
H 1.259231 -0.668498 -1.979662
H 2.473525 0.371536 -0.438979
H 3.558160 -0.931413 -1.015341
H 0.825884 -1.592899 2.187217
H 2.163274 -0.422908 2.475743
H 0.848221 -0.031010 1.299407
H 2.505090 -3.382917 1.584013
H 3.832511 -2.968881 0.438033
H 3.738770 -2.158921 2.042780
H 5.055317 -0.599628 0.981942
H 3.938187 0.622572 1.652091
H 0.666691 -2.815054 -3.023848
H -0.805218 -2.963174 -2.017630
H -0.673007 -1.646884 -3.205564
H 4.295457 2.073417 -0.368848
H 5.385095 0.854579 -1.068745
H 1.174756 1.327210 -2.253408
H -0.031693 2.646731 -2.274562
H 1.089272 2.560850 -0.938992
H -1.643686 -2.926604 0.074528
H -3.939264 1.299651 1.434735
H 6.972827 1.132931 0.901829
H 5.877827 2.358829 1.606396
H 6.701610 2.680133 0.058568
H -3.709837 -3.043290 1.476993
H -4.862853 -0.888805 2.170321
H -3.457855 3.363527 1.541422
H -4.200514 2.870767 -0.020947
H -3.484920 4.504859 0.176462


