%chk=000048139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048139

0 1
 N   -4.038600      0.6413000      0.3669000    
 C  -0.7418000      -2.895100      0.2917000    
 C   0.5274000      -2.440800     -0.4333000    
 C   -1.974500      -2.203400     -0.2449000    
 C    1.686600       1.083700      0.9589000    
 C    1.513700     -0.4090000      0.7690000    
 C   0.7830000     -0.9766000     -0.2105000    
 C    3.151200       1.540000      0.9934000    
 C   -4.075600     -0.7827000      5.0999999E-02
 C   -2.825800      -1.477500      0.5061000    
 C   -2.227000      -2.391700      -1.717400    
 C    2.188000      -1.272100       1.804100    
 C   -3.188000       1.357500     -0.5847000    
 C    3.853000       1.331200     -0.3198000    
 C   -5.389700       1.204000      0.3645000    
 C    4.999400      0.6652000     -0.5540000    
 C   -2.689000       2.649600     -1.4600000E-02
 C    5.822300     -4.1700002E-02  0.4848000    
 C    5.550600      0.5695000      -1.951900    
 C   -2.925400       3.848300     -0.5596000    
 H  -0.6433000      -2.724900       1.371000    
 H  -0.8615000      -3.977700      0.1607000    
 H   0.4652000      -2.627500      -1.512000    
 H    1.376700      -3.044000     -9.3300000E-02
 H    1.206200       1.369400       1.903500    
 H    1.152000       1.629600      0.1705000    
 H   0.2988000     -0.3122000     -0.9250000    
 H    3.670200       1.071300       1.832700    
 H    3.164200       2.617500       1.202300    
 H   -4.310200     -0.9323000      -1.007000    
 H   -4.892300      -1.261700      0.6082000    
 H   -2.605200      -1.384900       1.569200    
 H   -1.757800      -1.588800      -2.294500    
 H   -1.809400      -3.345700      -2.059700    
 H   -3.289100      -2.438500      -1.970500    
 H    3.251000      -1.387200       1.573500    
 H    1.752200      -2.269500       1.900300    
 H    2.099600     -0.8112000       2.794500    
 H   -3.697600       1.505800      -1.546300    
 H   -2.283900      0.7797000     -0.8147000    
 H    3.359300       1.805300      -1.167700    
 H   -5.381300       2.263400      0.6426000    
 H   -5.878200       1.106800     -0.6121000    
 H   -6.015600      0.7004000       1.110300    
 H   -2.089300       2.600600      0.8913000    
 H    6.845100      0.3504000      0.4824000    
 H    5.441100      6.6500001E-02   1.501400    
 H    5.865500      -1.113200      0.2628000    
 H    6.549200       1.016400      -1.996700    
 H    5.624400     -0.4789000      -2.258900    
 H    4.922900       1.086100      -2.685600    
 H   -2.530600       4.748000     -0.1004000    
 H   -3.513000       3.953500      -1.464800    


%chk=000048139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048139

0 1
N -4.031712 0.753349 -0.099292
C -1.122531 -3.111824 0.532698
C 0.384291 -2.721927 0.378142
C -2.074403 -2.347293 -0.385599
C 1.748873 0.758329 1.700547
C 1.663304 -0.748362 1.473256
C 0.655153 -1.270424 0.716130
C 3.083027 1.412745 1.221955
C -4.041201 -0.660766 -0.568999
C -2.997151 -1.492729 0.146225
C -1.913037 -2.625083 -1.870760
C 2.752862 -1.573316 2.135860
C -2.771578 1.461733 -0.436702
C 3.311448 1.260347 -0.268374
C -5.233469 1.493037 -0.534639
C 4.457832 0.906112 -0.917612
C -2.594006 2.728124 0.373943
C 5.776281 0.585276 -0.233562
C 4.497220 0.814039 -2.435821
C -2.253273 3.939269 -0.133705
H -1.419218 -2.954484 1.586640
H -1.212707 -4.199501 0.325428
H 0.701793 -2.928730 -0.666160
H 0.985507 -3.397985 1.014540
H 1.639794 0.973443 2.785514
H 0.902300 1.258050 1.189514
H -0.067487 -0.562006 0.281405
H 3.929895 1.001035 1.801080
H 3.031812 2.492374 1.480110
H -3.928322 -0.729248 -1.679971
H -5.047271 -1.063886 -0.330936
H -3.022746 -1.371345 1.239595
H -0.875345 -2.426440 -2.201888
H -2.114896 -3.692633 -2.089589
H -2.589284 -2.020814 -2.496765
H 3.722562 -1.433811 1.617790
H 2.530947 -2.653404 2.132333
H 2.901749 -1.256496 3.186933
H -2.696387 1.697662 -1.530084
H -1.942228 0.765462 -0.198145
H 2.423007 1.468604 -0.886618
H -5.210066 2.515550 -0.120609
H -5.321414 1.577852 -1.648446
H -6.139185 0.985993 -0.156009
H -2.746736 2.604162 1.456380
H 6.558505 1.310278 -0.536238
H 5.710288 0.605966 0.866577
H 6.141355 -0.416015 -0.538143
H 5.256316 1.502813 -2.858601
H 4.778520 -0.206293 -2.766008
H 3.520585 1.062823 -2.886397
H -2.104712 4.811938 0.512158
H -2.109756 4.090650 -1.211385


