%chk=000042397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042397

0 1
 N   0.3224000      3.4899998E-02 -0.1484000    
 N   -4.619300      0.2657000      0.4807000    
 C    1.291200       1.046400     -9.2600003E-02
 C  -0.9148000      0.6462000     -0.2747000    
 C    2.698600      0.9978000      2.3200000E-02
 C    3.481800     -0.2755000      0.1641000    
 C   0.6251000       2.276000     -0.2268000    
 C   0.5164000      -1.386600     -0.1162000    
 C    2.785400      -1.244500       1.105200    
 C    1.665500      -1.992000      0.4276000    
 C   -2.244100     -7.6000001E-03 -0.1718000    
 C  -0.7567000       2.006200     -0.3261000    
 C   -3.330100      0.9385000      0.3635000    
 C    3.400100       2.220400     -2.2500001E-02
 C    1.359300       3.478900     -0.2425000    
 C  -0.4932000      -2.210000     -0.6578000    
 C    1.766000      -3.400500      0.4076000    
 C    2.746300       3.438600     -0.1460000    
 C  -0.3691000      -3.600300     -0.6687000    
 C   0.7621000      -4.197200     -0.1364000    
 C   -5.082900     -0.1903000     -0.8306000    
 C   -5.610200       1.154600       1.089100    
 H    3.650100     -0.7141000     -0.8268000    
 H    4.467400     -4.5899998E-02  0.5888000    
 H    2.398300     -0.7449000       2.002900    
 H    3.538800      -1.958000       1.463700    
 H   -2.529000     -0.3128000      -1.182900    
 H   -2.223400     -0.8665000      0.5069000    
 H   -1.527900       2.758200     -0.4158000    
 H   -3.441700       1.816300     -0.2856000    
 H   -3.020200       1.302300       1.352600    
 H    4.486400       2.221800      4.8099998E-02
 H   0.8516000       4.434400     -0.3421000    
 H   -1.326700      -1.847000      -1.238500    
 H    2.639900      -3.894100      0.8283000    
 H    3.317600       4.362100     -0.1688000    
 H   -1.142300      -4.211400      -1.125700    
 H   0.8680000      -5.277500     -0.1466000    
 H   -5.077500      0.6096000      -1.580000    
 H   -6.108900     -0.5718000     -0.7599000    
 H   -4.493400      -1.034900      -1.200200    
 H   -5.282700       1.473200       2.085100    
 H   -6.563400      0.6320000       1.227500    
 H   -5.791900       2.049400      0.4825000    


%chk=000042397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042397

0 1
N 0.314844 0.072230 -0.218119
N -4.600657 0.178208 0.521024
C 1.344049 1.060021 -0.229483
C -0.928827 0.720621 -0.507423
C 2.724015 0.967095 0.089813
C 3.373503 -0.291833 0.644907
C 0.732983 2.310577 -0.593167
C 0.513174 -1.352557 -0.218344
C 2.396402 -1.139608 1.515004
C 1.467306 -1.965247 0.645745
C -2.268236 0.026120 -0.409289
C -0.682803 2.069367 -0.745029
C -3.315790 0.892081 0.337080
C 3.479315 2.157585 -0.036756
C 1.523801 3.480400 -0.715327
C -0.231379 -2.154703 -1.123505
C 1.605757 -3.374024 0.604037
C 2.902783 3.388990 -0.451999
C -0.084332 -3.556003 -1.139565
C 0.832223 -4.176792 -0.262334
C -5.364243 0.016565 -0.733011
C -5.425874 0.785556 1.586105
H 3.766499 -0.934994 -0.167728
H 4.244993 0.007990 1.256489
H 1.829138 -0.457946 2.177787
H 2.979899 -1.818804 2.162227
H -2.652534 -0.219820 -1.419332
H -2.180365 -0.930505 0.134207
H -1.440823 2.818337 -0.968114
H -3.458918 1.864394 -0.201172
H -2.912338 1.135927 1.337227
H 4.545275 2.126557 0.220978
H 1.065431 4.434148 -0.998717
H -0.905521 -1.673831 -1.837041
H 2.339888 -3.843894 1.269794
H 3.538528 4.277416 -0.536285
H -0.670877 -4.154038 -1.845300
H 0.954994 -5.265014 -0.264253
H -5.653537 0.994147 -1.198867
H -6.288524 -0.553164 -0.530311
H -4.777408 -0.553420 -1.473352
H -4.855882 0.808428 2.531731
H -6.330905 0.172713 1.748184
H -5.756125 1.830823 1.354882


