%chk=000051033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051033

0 1
 O   -6.205600       1.153400     -0.6775000    
 O    6.030900      -2.279400      0.3116000    
 N  -0.1576000     -0.9109000     -0.2180000    
 C   -9.350000     -0.1271000      0.9996000    
 C   -8.349100      0.8369000      0.3424000    
 C   -7.055900      0.1668000     -0.1063000    
 C   -9.706600      -1.250900      2.3800001E-02
 C   -8.814600     -0.7242000       2.301700    
 C   -4.856100      0.9404000     -0.5734000    
 C    2.037300      -1.012600      -1.255900    
 C   -4.365500     -0.3600000     -0.5373000    
 C   -3.990800       2.026600     -0.5067000    
 C    4.012900      -1.110800      0.1314000    
 C    1.242100     -0.9780000     -0.1137000    
 C   -2.117200      0.5077000     -0.3658000    
 C    3.425200      -1.079200      -1.133300    
 C   -2.991600     -0.5771000     -0.4331000    
 C   -2.616800       1.809500     -0.4027000    
 C    3.212800      -1.075900       1.273300    
 C    1.824900      -1.009500       1.150600    
 C    5.459800      -1.180000      0.2598000    
 C  -0.6845000      0.2822000     -0.2579000    
 C    1.431000     -0.9796000      -2.620700    
 C    6.316600      4.1900001E-02  0.3340000    
 C    5.709900       1.274900      0.2785000    
 C    7.677500     -0.1159000      0.4545000    
 C    6.509900       2.415500      0.3474000    
 C    8.477500       1.024700      0.5236000    
 C    7.893700       2.290400      0.4701000    
 H   -10.26110      0.4396000       1.228500    
 H   -8.111500       1.652400       1.037800    
 H   -8.817900       1.323200     -0.5231000    
 H   -6.584800     -0.2982000      0.7668000    
 H   -7.252300     -0.5928000     -0.8694000    
 H   -10.54400      -1.837700      0.4181000    
 H   -8.876200      -1.945900     -0.1365000    
 H   -10.01590     -0.8483000     -0.9464000    
 H   -7.971500      -1.401300       2.133900    
 H   -9.599200      -1.299500       2.805600    
 H   -8.489900      6.5800004E-02   2.987000    
 H   -5.008500      -1.231200     -0.6168000    
 H   -4.375900       3.041900     -0.5353000    
 H    4.054000      -1.105500      -2.020400    
 H   -2.629700      -1.601700     -0.4133000    
 H   -1.948200       2.665000     -0.3514000    
 H    3.659700      -1.100300       2.263800    
 H    1.209800     -0.9834000       2.046200    
 H  -3.9900001E-02   1.180400     -0.2104000    
 H    2.176700      -1.165100      -3.401500    
 H   0.6629000      -1.753600      -2.722000    
 H   0.9839000      6.0000003E-04  -2.815000    
 H    4.638500       1.412200      0.1834000    
 H    8.154600      -1.089800      0.4981000    
 H    6.055900       3.401300      0.3058000    
 H    9.555100      0.9276000      0.6190000    
 H    8.516600       3.178400      0.5239000    


%chk=000051033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051033

0 1
O -6.476520 0.956373 1.122797
O 6.168146 -0.575099 2.168520
N -0.028924 0.091101 0.498583
C -9.746021 -0.642369 -0.110018
C -8.734615 0.310838 0.589197
C -7.263019 -0.061678 0.387184
C -9.592550 -0.641513 -1.651488
C -9.692267 -2.084058 0.454106
C -5.084287 0.877917 1.080568
C 2.160671 -0.226815 -0.534183
C -4.353096 -0.125563 0.384530
C -4.395757 1.893568 1.795317
C 4.213538 -0.106171 0.849814
C 1.376226 0.068240 0.629703
C -2.242985 0.912660 1.114368
C 3.563033 -0.297618 -0.401531
C -2.948093 -0.099890 0.406780
C -2.993459 1.906429 1.808420
C 3.417135 0.141293 2.000879
C 2.023141 0.235794 1.892384
C 5.692915 -0.246611 1.032208
C -0.778230 0.954562 1.144399
C 1.482262 -0.437924 -1.871831
C 6.636898 0.001084 -0.115911
C 6.371644 0.948227 -1.141892
C 7.880911 -0.685914 -0.114756
C 7.328540 1.191411 -2.152071
C 8.827322 -0.455816 -1.132677
C 8.553109 0.484205 -2.156147
H -10.752008 -0.235044 0.122051
H -8.939732 0.331474 1.676912
H -8.882641 1.341923 0.214040
H -7.032131 -1.063855 0.799409
H -6.976994 -0.035142 -0.682910
H -10.415119 -1.207666 -2.125849
H -8.643767 -1.115979 -1.966739
H -9.610112 0.387391 -2.057067
H -8.742565 -2.589740 0.195282
H -10.513102 -2.696745 0.037969
H -9.790733 -2.088779 1.555798
H -4.869562 -0.916195 -0.166890
H -4.982499 2.651359 2.322649
H 4.160478 -0.545354 -1.285705
H -2.365060 -0.861052 -0.121917
H -2.465166 2.694146 2.359949
H 3.920595 0.241676 2.967991
H 1.411307 0.399207 2.787058
H -0.330172 1.783667 1.733518
H 2.186606 -0.844508 -2.617588
H 0.624506 -1.125841 -1.766096
H 1.071648 0.509919 -2.268822
H 5.435902 1.516690 -1.130146
H 8.084168 -1.388641 0.700099
H 7.122149 1.934861 -2.930048
H 9.778049 -1.000235 -1.129413
H 9.291589 0.669702 -2.944385


