%chk=000171115.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171115

0 1
 O   -2.800400       1.602100      0.8873000    
 N   0.4465000       2.486500      -1.387600    
 N    3.181600      -1.023900      0.7984000    
 C  -0.9920000      0.6857000     -0.4081000    
 C  -0.1802000       2.017000     -0.1409000    
 C   0.9230000       1.909000      0.9698000    
 C  -6.6799998E-02 -0.5094000     -0.5295000    
 C    1.178700     -0.4326000      0.1050000    
 C    1.719200      0.6554000      0.8214000    
 C   -1.995700      0.4401000      0.7241000    
 C    2.090400      -1.470000      8.4600002E-02
 C    2.966500      0.2645000       1.248200    
 C  -0.3677000      -1.705100      -1.188900    
 C   -2.882000     -0.7507000      0.4577000    
 C    1.808700      -2.668000     -0.5734000    
 C   0.5576000      -2.760300      -1.209600    
 C    1.068800       3.785300      -1.190800    
 C   -3.748000     -0.7324000     -0.7714000    
 C   -2.908300      -1.793100       1.303800    
 H   -1.526200      0.8283000      -1.356800    
 H  -0.8823000       2.803100      0.1610000    
 H   0.4088000       1.853500       1.939300    
 H    1.575100       2.781700       1.049900    
 H   -1.461900      0.2886000       1.672200    
 H  -0.2749000       2.570900      -2.103900    
 H    3.725900      0.7740000       1.824400    
 H   -1.304100      -1.834200      -1.719900    
 H    4.022500      -1.558800      0.9658000    
 H    2.515700      -3.489300     -0.5974000    
 H   0.3022000      -3.676900      -1.737200    
 H    1.245200       4.237700      -2.173400    
 H    2.055000       3.709500     -0.7248000    
 H   0.4388000       4.484000     -0.6301000    
 H   -2.384000       2.159600       1.566400    
 H   -3.169800     -0.6252000      -1.691100    
 H   -4.337600      -1.651000     -0.8671000    
 H   -4.455400      0.1019000     -0.7183000    
 H   -2.291400      -1.815200       2.196000    
 H   -3.546500      -2.651700       1.123300    


%chk=000171115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171115

0 1
O -2.738576 1.549072 1.185768
N 0.627574 2.320572 -1.315836
N 3.246511 -1.029934 0.978931
C -0.947791 0.651577 -0.363350
C -0.139414 1.973765 -0.106497
C 0.820073 1.869735 1.135519
C 0.009956 -0.522975 -0.548287
C 1.213505 -0.449143 0.187446
C 1.677665 0.635212 1.010327
C -1.950886 0.348140 0.817319
C 2.197885 -1.479888 0.163219
C 2.930620 0.254587 1.483855
C -0.189295 -1.676081 -1.330671
C -2.980988 -0.720090 0.467300
C 1.993765 -2.646480 -0.611005
C 0.791732 -2.717498 -1.352868
C 0.895621 3.743306 -1.546751
C -4.083435 -0.309587 -0.489429
C -2.896723 -1.963705 1.003809
H -1.550602 0.810273 -1.280552
H -0.881020 2.782649 0.106573
H 0.213315 1.842478 2.067905
H 1.429378 2.791400 1.191604
H -1.353014 0.008295 1.688623
H 0.348149 1.797977 -2.150520
H 3.635024 0.783687 2.123834
H -1.106923 -1.794980 -1.918378
H 4.106819 -1.536102 1.174318
H 2.725414 -3.460983 -0.652403
H 0.603782 -3.604945 -1.968284
H 1.443069 3.868457 -2.497805
H 1.541714 4.152324 -0.746146
H -0.022984 4.380824 -1.588331
H -2.137778 2.202555 1.624780
H -3.680532 -0.031474 -1.483592
H -4.811939 -1.125771 -0.631916
H -4.607838 0.580464 -0.099395
H -2.096415 -2.240168 1.699978
H -3.620418 -2.746945 0.749310


