%chk=000025646.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025646

2 1
 N    2.528200      -1.791500     -2.1400001E-02
 N   -2.446600      -1.789700      2.8899999E-02
 C    1.306600      -1.106500     -0.6169000    
 C   -1.277300      -1.096500     -0.5602000    
 C   2.3399999E-02  -1.730400     -7.8699999E-02
 C    3.791300      -1.153200     -0.5810000    
 C   -3.759800      -1.210300     -0.5176000    
 C    2.505400      -3.270400     -0.3801000    
 C    2.509200      -1.636400       1.492500    
 C   -2.460300      -1.638000       1.557200    
 C   -2.416700      -3.289900     -0.2992000    
 C    3.896000      0.3114000     -0.2725000    
 C   -3.907100      0.2598000     -0.2571000    
 C    3.360000       1.241400      -1.156500    
 C   -4.519000      0.6940000      0.9136000    
 C    4.528400      0.7260000      0.8943000    
 C   -3.430900       1.175500      -1.188900    
 C    3.457600       2.603100     -0.8700000    
 C   -4.656400       2.060800       1.155700    
 C    4.626100       2.087600       1.180900    
 C   -3.568100       2.542400     -0.9469000    
 C    4.090700       3.026100      0.2986000    
 C   -4.180900       2.985000      0.2254000    
 H    1.310900     -5.2900001E-02 -0.3266000    
 H    1.363000      -1.191600      -1.708200    
 H   -1.280900     -4.6300001E-02 -0.2530000    
 H   -1.350900      -1.154200      -1.652700    
 H   4.0600002E-02  -1.693300       1.010600    
 H   2.1000000E-02  -2.777800     -0.3819000    
 H    3.793500      -1.324200      -1.665500    
 H    4.652000      -1.697400     -0.1708000    
 H   -4.589900      -1.771100     -6.8499997E-02
 H   -3.779200      -1.417400      -1.595700    
 H    3.476100      -3.698700     -0.1088000    
 H    1.729000      -3.787700      0.1889000    
 H    2.343500      -3.368900      -1.457600    
 H    1.787300      -2.335800       1.924100    
 H    3.498100      -1.901600       1.880100    
 H    2.241000     -0.6108000       1.760800    
 H   -1.704600      -2.297900       1.992700    
 H   -2.243700     -0.6003000       1.823700    
 H   -3.440400      -1.951700       1.929900    
 H   -3.386600      -3.716600     -2.3600001E-02
 H   -2.247500      -3.406000      -1.373600    
 H   -1.640600      -3.787800      0.2873000    
 H    2.874800      0.9283000      -2.076800    
 H   -4.906700     -1.2100000E-02   1.642300    
 H    4.962600      9.3000000E-03   1.585500    
 H   -2.959100      0.8457000      -2.110400    
 H    3.043200       3.334000      -1.558200    
 H   -5.136200       2.405600       2.066900    
 H    5.121800       2.417300       2.089200    
 H   -3.199700       3.262000      -1.672100    
 H    4.168000       4.086400      0.5211000    
 H   -4.288900       4.049200      0.4133000    


%chk=000025646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025646

2 1
N 2.622580 -1.885655 0.052652
N -2.590714 -1.927049 0.061002
C 1.262683 -1.331678 -0.412373
C -1.241575 -1.348980 -0.405397
C 0.016963 -2.021761 0.195987
C 3.783925 -1.031888 -0.651203
C -3.767773 -1.084975 -0.630309
C 2.808929 -3.334951 -0.390154
C 2.774078 -1.791690 1.566822
C -2.736538 -1.847869 1.576690
C -2.757760 -3.375442 -0.392887
C 3.793330 0.438612 -0.324245
C -3.797524 0.382323 -0.290438
C 3.144235 1.369482 -1.182453
C -4.540152 0.849227 0.829227
C 4.534036 0.926132 0.787878
C -3.166227 1.329937 -1.143598
C 3.209298 2.754202 -0.916833
C -4.620993 2.230211 1.108599
C 4.595746 2.310500 1.055094
C -3.250327 2.711217 -0.865714
C 3.929365 3.225862 0.206297
C -3.971991 3.162492 0.264750
H 1.275590 -0.256292 -0.164796
H 1.260594 -1.428789 -1.513476
H -1.270827 -0.275172 -0.152445
H -1.241239 -1.440586 -1.506991
H 0.018988 -1.900164 1.292825
H 0.023661 -3.101709 -0.034336
H 3.638017 -1.217269 -1.729550
H 4.709359 -1.534943 -0.322866
H -4.684080 -1.604801 -0.302531
H -3.623888 -1.258495 -1.710919
H 3.824114 -3.662066 -0.117674
H 2.078652 -3.982933 0.116446
H 2.684787 -3.402244 -1.482129
H 2.063628 -2.475199 2.054539
H 3.798455 -2.090315 1.836148
H 2.599732 -0.754322 1.886594
H -2.012382 -2.523376 2.055257
H -2.577724 -0.810359 1.903944
H -3.754517 -2.165715 1.848122
H -3.766326 -3.719720 -0.117144
H -2.639245 -3.431726 -1.486110
H -2.014771 -4.016567 0.103865
H 2.628922 1.018813 -2.086416
H -5.088135 0.141231 1.463633
H 5.095417 0.231854 1.425732
H -2.650322 0.994411 -2.052953
H 2.727791 3.465480 -1.595194
H -5.207475 2.581082 1.963249
H 5.180858 2.677269 1.903985
H -2.782501 3.435348 -1.540035
H 3.994653 4.300599 0.403118
H -4.052077 4.234417 0.471212


