%chk=000160020.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160020

0 1
 N   -2.178800      -1.095900      0.1001000    
 N   -4.827800     -0.3386000     -0.4731000    
 C   -3.976500      0.6362000      0.2207000    
 C   -2.556500      0.2084000      0.1692000    
 C   -1.443700       1.009500      0.1159000    
 C   -4.065700       2.053000     -0.3857000    
 C  -0.3159000      0.1370000      9.4599999E-02
 C   -1.548100       2.493600      2.4700001E-02
 C    3.435900     -0.5469000     -2.7400000E-02
 C  -0.8063000      -1.181900      8.5100003E-02
 C   -3.000100       2.983500      0.2454000    
 C   -3.147900      -2.160200     -9.7400002E-02
 C   -4.601900      -1.684200      8.5199997E-02
 C    1.934300     -0.7648000      1.2900000E-02
 C    3.945100      0.1641000       1.238700    
 C    3.872000      0.2073000      -1.295800    
 C    1.078500      0.3411000      5.1500000E-02
 C    5.458200      0.3698000       1.193300    
 C    5.385500      0.4128000      -1.330700    
 C    5.888300       1.110000     -6.9899999E-02
 C   4.6799999E-02  -2.293400      3.6699999E-02
 C    1.424400      -2.060400      5.9000002E-03
 H   -4.290200      0.6978000       1.271600    
 H   -5.065800       2.469200     -0.2156000    
 H   -3.908500       2.022200      -1.472300    
 H  -0.8833000       2.972700      0.7519000    
 H   -1.218500       2.803100     -0.9748000    
 H    3.922000      -1.532800     -5.8200002E-02
 H   -3.192300       3.050600       1.324300    
 H   -3.105500       3.997500     -0.1569000    
 H   -2.916200      -2.962600      0.6104000    
 H   -2.996500      -2.526900      -1.119400    
 H   -4.603100     -0.3446000      -1.468300    
 H   -5.281800      -2.396500     -0.3949000    
 H   -4.861200      -1.679800       1.151500    
 H    3.685700     -0.4220000       2.129100    
 H    3.461700       1.142000       1.357700    
 H    3.384000       1.188300      -1.353700    
 H    3.561200     -0.3486000      -2.189200    
 H    1.468100       1.355100      4.9699999E-02
 H    5.960400     -0.6046000       1.234700    
 H    5.779900      0.9320000       2.077300    
 H    5.656300       1.005100      -2.212100    
 H    5.883500     -0.5591000      -1.434000    
 H    5.500400       2.135700     -4.1200001E-02
 H    6.981300       1.182600     -0.1002000    
 H  -0.3436000      -3.305800      2.2600001E-02
 H    2.093600      -2.917200     -2.8400000E-02


%chk=000160020-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160020

0 1
N -2.231803 -1.131984 0.216522
N -4.884558 -0.355333 -0.523122
C -4.042057 0.656705 0.185355
C -2.598555 0.227895 0.212732
C -1.472091 1.040319 0.156753
C -4.099866 2.069402 -0.436771
C -0.321657 0.154825 0.122257
C -1.587751 2.543231 0.049242
C 3.474290 -0.542139 -0.042870
C -0.829682 -1.198450 0.146352
C -3.064459 2.999305 0.255573
C -3.181192 -2.222850 -0.059230
C -4.651216 -1.703763 0.053592
C 1.959728 -0.744056 0.016305
C 4.027479 0.148070 1.239060
C 3.919736 0.250671 -1.306916
C 1.078893 0.362225 0.063679
C 5.562758 0.327464 1.181976
C 5.455104 0.429206 -1.363255
C 5.992040 1.110350 -0.081797
C 0.030311 -2.313645 0.094130
C 1.418548 -2.067297 0.029557
H -4.446363 0.716424 1.218954
H -5.121057 2.479054 -0.331032
H -3.874845 2.002304 -1.521306
H -0.939991 3.056332 0.788297
H -1.231735 2.874076 -0.949498
H 3.948614 -1.545668 -0.103718
H -3.287865 3.020504 1.341523
H -3.186900 4.034408 -0.114967
H -3.025989 -3.056359 0.653578
H -2.995067 -2.617909 -1.080716
H -4.696022 -0.336327 -1.538485
H -5.320705 -2.434568 -0.433795
H -4.938316 -1.652320 1.121034
H 3.738324 -0.442812 2.129693
H 3.546566 1.142045 1.349021
H 3.436018 1.249278 -1.297565
H 3.555954 -0.268310 -2.214864
H 1.477383 1.384207 0.051183
H 6.048022 -0.671128 1.171555
H 5.917978 0.844832 2.094751
H 5.736020 1.017826 -2.258645
H 5.934861 -0.566291 -1.472126
H 5.591009 2.143964 -0.023180
H 7.095439 1.196275 -0.125190
H -0.355160 -3.339205 0.106918
H 2.111224 -2.917383 -0.009044


