%chk=000036999.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036999

0 1
 O   0.2310000     -0.8518000       2.565700    
 N   5.6699999E-02  0.9784000       1.088500    
 N   0.8912000      -3.171700      -1.306400    
 C    2.027400     -0.3414000      0.9602000    
 C    2.037500      0.7952000     -3.2200001E-02
 C    2.049900      -1.702400      0.2652000    
 C   0.6655000     -0.1434000       1.668500    
 C   0.8605000       1.536000      8.6000003E-02
 C    3.158700     -0.2144000       1.980300    
 C   0.8575000      -1.860100     -0.6705000    
 C   -1.232100       1.513300       1.459300    
 C    3.003000       1.147600     -0.9612000    
 C   0.6099000       2.640700     -0.7101000    
 C    2.766700       2.259700      -1.773200    
 C    1.579500       3.000000      -1.648600    
 C   -2.346900      0.8979000      0.6560000    
 C  -0.2677000      -3.349500      -2.183200    
 C   0.9323000      -4.232600     -0.2983000    
 C   -2.732600       1.486300     -0.5403000    
 C   -2.973400     -0.2488000       1.123500    
 C   -3.765600      0.9162000      -1.284300    
 C   -4.006400     -0.8189000      0.3795000    
 C   -4.402500     -0.2364000     -0.8244000    
 H    2.037500      -2.458100       1.058500    
 H    2.986400      -1.833100     -0.2932000    
 H    3.091600     -0.9961000       2.745500    
 H    4.141300     -0.2951000       1.502100    
 H    3.121800      0.7501000       2.501000    
 H   0.8896000      -1.099700      -1.458700    
 H  -9.0700001E-02  -1.737600     -0.1337000    
 H   -1.236700       2.606400       1.379000    
 H   -1.396200       1.295600       2.522700    
 H    3.921500      0.5796000      -1.061800    
 H  -0.2809000       3.246700     -0.6127000    
 H    3.509400       2.557400      -2.508500    
 H    1.419100       3.866100      -2.285100    
 H  -0.2910000      -2.570500      -2.953500    
 H   -1.214000      -3.316700      -1.630700    
 H  -0.2085000      -4.307900      -2.711000    
 H   0.7642000      -5.210000     -0.7677000    
 H   0.1690000      -4.106800      0.4784000    
 H    1.919900      -4.318200      0.1656000    
 H   -2.270800       2.395000     -0.9073000    
 H   -2.673900     -0.7119000       2.059300    
 H   -4.077900       1.372700      -2.219000    
 H   -4.502300      -1.716500      0.7374000    
 H   -5.207500     -0.6796000      -1.403200    


%chk=000036999-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036999

0 1
O 0.324980 -0.745340 2.779725
N -0.008933 0.902351 1.113415
N 1.269026 -3.618274 -0.980104
C 2.051268 -0.323670 0.987566
C 1.935483 0.701487 -0.136421
C 2.179120 -1.799115 0.498691
C 0.712749 -0.124442 1.752871
C 0.704675 1.401700 -0.011486
C 3.222375 0.002011 1.958166
C 1.050215 -2.252326 -0.448726
C -1.297650 1.400257 1.608365
C 2.818147 1.024888 -1.176828
C 0.331497 2.423423 -0.903880
C 2.463675 2.054762 -2.089459
C 1.234956 2.741875 -1.949606
C -2.469420 1.173938 0.654257
C 0.416902 -3.892345 -2.155934
C 1.128670 -4.673316 0.046060
C -3.440727 2.187464 0.467997
C -2.625934 -0.061233 -0.022309
C -4.555480 1.970241 -0.374143
C -3.735199 -0.278937 -0.867390
C -4.705394 0.735596 -1.045673
H 2.205922 -2.436554 1.402141
H 3.145603 -1.919789 -0.027044
H 3.169318 -0.657692 2.842330
H 4.191195 -0.157140 1.451402
H 3.180029 1.050942 2.300528
H 1.008471 -1.560574 -1.310865
H 0.064348 -2.177263 0.084841
H -1.209952 2.478110 1.847946
H -1.468874 0.856737 2.558377
H 3.769414 0.491903 -1.288131
H -0.626401 2.944200 -0.813382
H 3.143485 2.317149 -2.907082
H 0.971184 3.531026 -2.662600
H 0.606095 -3.136422 -2.938629
H -0.679659 -3.882768 -1.923029
H 0.665439 -4.885666 -2.571124
H 1.340326 -5.657615 -0.408457
H 0.103629 -4.709716 0.496538
H 1.853316 -4.518061 0.862397
H -3.328031 3.149394 0.984815
H -1.876780 -0.850123 0.114070
H -5.300507 2.762493 -0.509097
H -3.845089 -1.238089 -1.386020
H -5.566480 0.566222 -1.701679


