%chk=000178282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178282

0 1
 O  -0.9175000      -3.865800      0.1790000    
 N  -0.6457000      -1.614200     -0.3977000    
 N   -2.798600      -2.666300     -0.4272000    
 C   0.7173000      -1.710500     -0.8476000    
 C    1.675700      -1.086600      0.1195000    
 C   -2.964600       3.489100      0.4974000    
 C   -1.241100     -0.3029000     -0.1674000    
 C   -2.354100       2.148500      0.2633000    
 C    2.715400     -0.2421000     -0.3026000    
 C   -2.209300     -0.2051000      0.7888000    
 C  -0.7908000      0.7397000     -0.9234000    
 C   -2.778700       1.049000       1.009200    
 C   -1.360200       1.993800     -0.7030000    
 C    3.587800      0.3165000      0.6617000    
 C   -1.418800      -2.792000     -0.1752000    
 C    1.498900      -1.376600       1.472800    
 C   -3.696300       4.028100     -0.7464000    
 C   -1.937600       4.526200      0.9896000    
 C    2.908400      6.0600001E-02  -1.660400    
 C    3.394800      1.4200000E-02   2.019700    
 C    2.356600     -0.8270000       2.421100    
 C    4.627500       1.161100      0.2399000    
 C    3.946700      0.9016000      -2.061700    
 C    4.804700       1.450800      -1.113300    
 C   -3.791200      -3.476600      0.2650000    
 C   -3.329600      -1.713800      -1.400900    
 H   0.7359000      -1.332300      -1.869300    
 H   0.9953000      -2.768500     -0.9439000    
 H   -3.721200       3.400700       1.289100    
 H   -2.512300      -1.019300       1.437800    
 H  -4.6900000E-02  0.6541000      -1.704700    
 H   -3.541000       1.155200       1.776400    
 H   -1.019500       2.835200      -1.300300    
 H   0.7120000      -2.041800       1.817200    
 H   -4.212400       4.965500     -0.5118000    
 H   -4.446000       3.310500      -1.098100    
 H   -3.006700       4.225500      -1.574100    
 H   -2.434700       5.469400       1.240900    
 H   -1.177500       4.741800      0.2309000    
 H   -1.422600       4.167600       1.887800    
 H    2.293000     -0.3395000      -2.457400    
 H    4.053800      0.4317000       2.778100    
 H    2.221000      -1.055800       3.474100    
 H    5.310100       1.601600      0.9637000    
 H    4.088000       1.125600      -3.115100    
 H    5.613400       2.104800      -1.426400    
 H   -4.298800      -4.114300     -0.4640000    
 H   -4.516100      -2.816400      0.7494000    
 H   -3.314300      -4.103400       1.023200    
 H   -3.951700     -0.9577000     -0.9170000    
 H   -3.989300      -2.278800      -2.070900    
 H   -2.564000      -1.279600      -2.046400    


%chk=000178282-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178282

0 1
O -0.805840 -3.749573 0.392474
N -0.811391 -1.577818 -0.517510
N -2.829717 -2.874637 -0.376771
C 0.620744 -1.709888 -0.913862
C 1.606105 -1.101374 0.084545
C -2.934715 3.767407 0.518747
C -1.347835 -0.269941 -0.269008
C -2.379354 2.368316 0.242231
C 2.700482 -0.251330 -0.327480
C -2.305253 -0.047111 0.756210
C -0.897168 0.849298 -1.019752
C -2.812705 1.247055 0.992610
C -1.403318 2.138859 -0.761196
C 3.595379 0.278855 0.689506
C -1.461610 -2.785697 -0.125984
C 1.447581 -1.414657 1.441384
C -3.680921 4.342137 -0.715537
C -1.825270 4.742944 0.994280
C 2.963494 0.102523 -1.697272
C 3.385394 -0.059452 2.065492
C 2.331976 -0.897268 2.433405
C 4.683240 1.130355 0.301080
C 4.031875 0.932984 -2.044487
C 4.902275 1.456334 -1.037430
C -3.579527 -3.988462 0.226522
C -3.562386 -2.052815 -1.351788
H 0.745641 -1.280402 -1.922404
H 0.808231 -2.795211 -0.991595
H -3.672985 3.674852 1.341513
H -2.642136 -0.884899 1.375415
H -0.140625 0.722952 -1.800403
H -3.550780 1.390253 1.792177
H -1.025340 2.978780 -1.356867
H 0.630669 -2.084323 1.732155
H -4.118325 5.330828 -0.481386
H -4.495676 3.669347 -1.039138
H -2.991235 4.473156 -1.570446
H -2.254755 5.732833 1.237917
H -1.061629 4.890725 0.207943
H -1.311881 4.355088 1.892311
H 2.329040 -0.294324 -2.496684
H 4.068946 0.346354 2.821019
H 2.178252 -1.164446 3.484669
H 5.346441 1.520615 1.082768
H 4.209245 1.183616 -3.096470
H 5.737267 2.105831 -1.322241
H -3.892492 -4.720072 -0.544515
H -4.484558 -3.607466 0.738049
H -2.929748 -4.504502 0.948501
H -4.229251 -1.318193 -0.860038
H -4.177331 -2.715921 -1.990553
H -2.859322 -1.501015 -1.992705


