%chk=000160948.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160948

1 1
 O    4.141500       1.697000      -1.757200    
 N    1.625900      -2.863000      0.2390000    
 N    4.241900      0.6153000      0.2976000    
 C    2.672500      -1.895700      0.6501000    
 C    3.584400      -1.615500     -0.5375000    
 C   0.6588000      -3.146000       1.397100    
 C    2.253800      -4.195200     -0.1939000    
 C   0.8095000      -2.315600     -0.9404000    
 C   -1.341000       1.524000     -0.1472000    
 C  -0.2164000       1.931800      0.8071000    
 C   -2.638700       1.243400      0.6131000    
 C    4.719900     -0.6623000     -0.1796000    
 C    1.090200       2.181000      5.1800001E-02
 C   -3.798500      0.8221000     -0.2947000    
 C    2.206300       2.620100       1.000200    
 C   -5.119500      0.5055000      0.4148000    
 C    3.501400       2.901200      0.2418000    
 C   -6.221800      3.6899999E-02 -0.5382000    
 C    3.991700       1.693900     -0.5384000    
 C   -7.542000     -0.2717000      0.1725000    
 C   -8.619700     -0.8071000     -0.7578000    
 H    3.231800      -2.328000       1.488400    
 H    2.171500     -0.9849000      0.9984000    
 H    4.059100      -2.524300     -0.9172000    
 H    3.035200      -1.154700      -1.364700    
 H  -9.4999999E-02  -3.863900       1.060900    
 H   0.1880000      -2.201200       1.684500    
 H    1.237500      -3.557100       2.229400    
 H    2.744400      -4.083300      -1.163300    
 H    1.449900      -4.931800     -0.2933000    
 H    2.959600      -4.512900      0.5790000    
 H  -6.7599997E-02  -2.957600      -1.072400    
 H    1.404900      -2.346600      -1.856000    
 H   0.4955000      -1.296800     -0.6989000    
 H   -1.046300      0.6296000     -0.7079000    
 H   -1.511100       2.322400     -0.8796000    
 H  -6.1999999E-02   1.142200       1.552700    
 H  -0.5078000       2.838800       1.350600    
 H   -2.933500       2.139000       1.173800    
 H   -2.461500      0.4517000       1.351700    
 H    5.356600     -0.4985000      -1.056200    
 H    5.343100      -1.091000      0.6125000    
 H   0.9311000       2.954300     -0.7096000    
 H    1.372700       1.262400     -0.4751000    
 H   -3.488600     -6.2399998E-02 -0.8660000    
 H   -3.976800       1.617200      -1.029900    
 H    1.903200       3.534800       1.524100    
 H    2.358400       1.855600       1.770300    
 H   -5.459100       1.399000      0.9527000    
 H   -4.942200     -0.2704000       1.169500    
 H    3.355900       3.728700     -0.4622000    
 H    4.287900       3.203900      0.9427000    
 H   -6.394600      0.8068000      -1.300200    
 H   -5.879500     -0.8611000      -1.067200    
 H    4.122600      0.7200000       1.300300    
 H   -7.364500      -1.008800      0.9646000    
 H   -7.912300      0.6373000      0.6613000    
 H   -8.850000     -8.2500003E-02  -1.545200    
 H   -9.539100      -1.008300     -0.1993000    
 H   -8.297800      -1.739500      -1.232400    


%chk=000160948-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160948

1 1
O 4.184146 0.425560 -1.177931
N 1.912265 -2.702982 -0.683405
N 4.106247 0.494882 1.145703
C 2.579441 -2.040719 0.554784
C 4.114344 -1.974939 0.491096
C 0.436324 -2.936978 -0.363194
C 2.570418 -4.043333 -0.997385
C 2.009280 -1.778005 -1.903675
C -1.497071 1.273463 -0.050241
C -0.402270 2.199957 0.526181
C -2.896006 1.511033 0.561083
C 4.694191 -0.841334 1.383634
C 0.984004 1.966287 -0.113618
C -3.974471 0.548439 0.014736
C 2.120211 2.774089 0.551104
C -5.376094 0.795718 0.617145
C 3.509407 2.542201 -0.108240
C -6.452744 -0.174262 0.080323
C 3.967733 1.081904 -0.106754
C -7.853907 0.074839 0.684267
C -8.923357 -0.899439 0.145583
H 2.231922 -2.617923 1.430311
H 2.153118 -1.024181 0.611154
H 4.564690 -2.924979 0.831660
H 4.456201 -1.772499 -0.536005
H -0.075718 -3.297862 -1.268508
H -0.014671 -1.986451 -0.037807
H 0.352038 -3.686975 0.438273
H 3.598719 -3.872680 -1.344414
H 1.992086 -4.545529 -1.788241
H 2.578642 -4.664496 -0.088343
H 1.709275 -2.346468 -2.797489
H 3.032351 -1.387789 -2.004974
H 1.329139 -0.926443 -1.750557
H -1.204571 0.211329 0.124442
H -1.551756 1.404810 -1.151164
H -0.336029 2.050332 1.624006
H -0.701911 3.256609 0.376212
H -3.205412 2.557277 0.361376
H -2.838292 1.410640 1.664884
H 5.786453 -0.814937 1.203032
H 4.542902 -1.077634 2.452563
H 0.942728 2.212400 -1.194219
H 1.226747 0.881219 -0.052325
H -3.670771 -0.500972 0.220702
H -4.030054 0.646357 -1.089757
H 1.887244 3.854031 0.484337
H 2.155893 2.538326 1.635165
H -5.686275 1.839701 0.404206
H -5.322132 0.707706 1.722449
H 3.480556 2.857327 -1.164751
H 4.271035 3.164965 0.400950
H -6.511661 -0.085083 -1.024784
H -6.146187 -1.220656 0.292409
H 3.965205 1.093252 1.962872
H -7.795407 -0.011128 1.788529
H -8.162119 1.118375 0.470110
H -9.024612 -0.810630 -0.952550
H -9.914148 -0.698575 0.591737
H -8.657507 -1.948948 0.374316


