%chk=000109894.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109894

0 1
 O   -5.834300     -0.3334000      0.2982000    
 N   -8.462700       2.096900     -0.4404000    
 C    2.926200     -0.3874000     -0.2616000    
 C    1.587200      0.2250000      0.1594000    
 C    4.139200      0.4225000      0.2040000    
 C   0.3753000     -0.5973000     -0.2845000    
 C    5.447000     -0.2419000     -0.2340000    
 C  -0.9317000      4.3200001E-02  0.1888000    
 C    6.697500      0.5103000      0.2309000    
 C   -2.146500     -0.7582000     -0.2818000    
 C    8.038000     -0.1202000     -0.1606000    
 C   -3.449100     -0.1376000      0.2183000    
 C    9.285000      0.6625000      0.2570000    
 C   -4.660800     -0.9532000     -0.2096000    
 C    10.58720     -4.5899998E-02 -8.2400002E-02
 C   -7.004700      -1.051200     -6.9399998E-02
 C   -8.232400     -0.3509000      0.4957000    
 C   -8.360300       1.017100     -2.8200001E-02
 H    2.949400     -0.4789000      -1.354500    
 H    2.995200      -1.405100      0.1427000    
 H    1.571600      0.3292000       1.251600    
 H    1.510400       1.237500     -0.2561000    
 H    4.121500      0.5142000       1.296600    
 H    4.085400       1.437200     -0.2077000    
 H   0.4540000      -1.614200      0.1183000    
 H   0.3723000     -0.6811000      -1.377900    
 H    5.465400     -0.3227000      -1.327800    
 H    5.483500      -1.265300      0.1595000    
 H  -0.9996000       1.068800     -0.1939000    
 H  -0.9328000      0.1057000       1.283900    
 H    6.665500      0.6086000       1.323400    
 H    6.661600       1.530500     -0.1717000    
 H   -2.156700     -0.8035000      -1.377600    
 H   -2.067800      -1.789400      8.3700001E-02
 H    8.057600     -0.2561000      -1.249400    
 H    8.087500      -1.125600      0.2764000    
 H   -3.436000     -5.7500001E-02   1.312600    
 H   -3.549500      0.8889000     -0.1560000    
 H    9.252900      0.8420000       1.338100    
 H    9.274500       1.645300     -0.2287000    
 H   -4.713900      -1.000100      -1.303600    
 H   -4.585600      -1.973300      0.1850000    
 H    10.64710      -1.015600      0.4218000    
 H    11.44280      0.5575000      0.2362000    
 H    10.67010     -0.2137000      -1.160800    
 H   -6.950900      -2.069800      0.3323000    
 H   -7.071100      -1.108400      -1.162900    
 H   -8.154100     -0.3014000       1.588100    
 H   -9.130600     -0.9286000      0.2529000    


%chk=000109894-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109894

0 1
O -5.940655 -0.351081 0.312655
N -8.442921 2.233345 -0.979817
C 2.963957 -0.490236 -0.176574
C 1.625024 0.103428 0.316001
C 4.199244 0.310211 0.294160
C 0.389013 -0.689144 -0.165910
C 5.538219 -0.280023 -0.202592
C -0.948859 -0.090056 0.322345
C 6.772770 0.527246 0.258722
C -2.185251 -0.874736 -0.171555
C 8.111943 -0.058837 -0.242342
C -3.517365 -0.260684 0.316350
C 9.345610 0.753097 0.214470
C -4.737093 -1.034116 -0.190351
C 10.679137 0.161975 -0.292019
C -7.178777 -0.986180 -0.124135
C -8.336552 -0.080688 0.340133
C -8.389436 1.201262 -0.384193
H 2.958177 -0.534443 -1.285992
H 3.051788 -1.539782 0.175119
H 1.627099 0.141262 1.425592
H 1.541953 1.155181 -0.029848
H 4.207217 0.353821 1.403551
H 4.109620 1.359862 -0.056586
H 0.469888 -1.740695 0.181413
H 0.389604 -0.727631 -1.275518
H 5.527083 -0.329218 -1.311766
H 5.631924 -1.327713 0.153069
H -1.025382 0.963133 -0.019313
H -0.953916 -0.057958 1.431776
H 6.786133 0.574850 1.367998
H 6.676867 1.575424 -0.095069
H -2.175335 -0.906889 -1.281254
H -2.109846 -1.927799 0.172503
H 8.098675 -0.109183 -1.351492
H 8.211920 -1.105824 0.113940
H -3.542945 -0.238544 1.422974
H -3.599902 0.788513 -0.026664
H 9.358833 0.802270 1.322644
H 9.244389 1.799027 -0.141075
H -4.757641 -1.053329 -1.303396
H -4.719192 -2.086730 0.174069
H 10.819792 -0.871732 0.077055
H 11.544189 0.761873 0.046281
H 10.702835 0.128046 -1.397777
H -7.292870 -1.990149 0.342138
H -7.195152 -1.109087 -1.228856
H -8.213917 0.121210 1.420234
H -9.300094 -0.607148 0.203204


