%chk=000104585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104585

0 1
 O    2.064000       1.047100      -1.472000    
 N   0.2496000      7.1900003E-02 -0.3529000    
 N    3.864600     -0.3934000     -0.3754000    
 C  -0.5061000      -1.194700      2.1000000E-02
 C  -0.4092000       1.418000     -8.1299998E-02
 C   -2.037300      -1.005600     -0.1829000    
 C   -2.575200      0.2215000      0.4605000    
 C   -1.804600       1.311200      0.5089000    
 C  -0.1814000      -2.421500     -0.8674000    
 C  -0.2277000      -1.549400       1.498000    
 C    1.591600      0.1184000     -0.8041000    
 C   0.4162000       2.218300      0.9542000    
 C  -0.5726000       2.232500      -1.382500    
 C   -3.974300      0.1815000      0.9903000    
 C    2.543000     -0.9966000     -0.4633000    
 C    4.903100      -1.369400     -4.6599999E-02
 C    3.947600      0.6186000      0.6774000    
 C    6.075400     -0.4924000      0.3677000    
 C    5.447300      0.8127000      0.8468000    
 C   -4.987100     -0.1181000     -0.1123000    
 C   -6.407300     -0.1879000      0.4498000    
 C   -7.419800     -0.5227000     -0.6340000    
 H   -2.561400      -1.886700      0.2119000    
 H   -2.272400     -0.9547000      -1.255300    
 H   -2.219700       2.214000      0.9550000    
 H  -0.9175000      -3.223200     -0.7310000    
 H  -0.1734000      -2.147200      -1.928100    
 H   0.7848000      -2.869100     -0.6253000    
 H  -0.8669000      -2.378300       1.824600    
 H   0.7996000      -1.862100       1.684800    
 H  -0.4255000     -0.7024000       2.163300    
 H   0.5878000       1.631600       1.864200    
 H    1.394400       2.505200      0.5587000    
 H  -8.4700003E-02   3.150500       1.243100    
 H   -1.207400       3.114400      -1.228800    
 H   0.3773000       2.611000      -1.768500    
 H   -1.032300       1.624900      -2.171200    
 H   -4.034400     -0.5855000       1.772700    
 H   -4.234500       1.132500       1.472000    
 H    2.526800      -1.718600      -1.285600    
 H    2.291200      -1.492000      0.4690000    
 H    5.157200      -2.005500     -0.9003000    
 H    4.607400      -2.012100      0.7927000    
 H    3.513900      0.2618000       1.620800    
 H    3.486400       1.575500      0.4230000    
 H    6.734700     -0.2951000     -0.4859000    
 H    6.674300     -0.9664000       1.151900    
 H    5.708800       1.029600       1.887400    
 H    5.806200       1.644400      0.2290000    
 H   -4.936100      0.6581000     -0.8865000    
 H   -4.754000      -1.072300     -0.6002000    
 H   -6.460300     -0.9500000       1.236100    
 H   -6.674000      0.7713000      0.9084000    
 H   -8.428100     -0.5649000     -0.2105000    
 H   -7.201500      -1.494200      -1.088700    
 H   -7.414300      0.2356000      -1.423400    


%chk=000104585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104585

0 1
O 2.042263 1.445470 -0.974453
N 0.221432 0.226513 -0.161371
N 3.960974 -0.391750 -0.276674
C -0.470143 -1.086700 0.185412
C -0.550750 1.554564 -0.027179
C -1.990828 -0.976202 -0.168103
C -2.670574 0.218494 0.458809
C -1.948512 1.359049 0.545455
C 0.032532 -2.289077 -0.666082
C -0.318954 -1.389203 1.703061
C 1.577432 0.351926 -0.522606
C 0.200523 2.519182 0.938896
C -0.733795 2.208367 -1.435347
C -4.097898 0.084479 0.951835
C 2.564221 -0.827775 -0.298946
C 4.931050 -1.512932 -0.222610
C 4.359792 0.537154 0.807159
C 6.288421 -0.826679 0.101153
C 5.900962 0.579431 0.674265
C -5.120782 -0.178198 -0.188305
C -6.565396 -0.347730 0.333864
C -7.589442 -0.578056 -0.798240
H -2.473515 -1.914014 0.169256
H -2.091880 -0.951327 -1.272982
H -2.384285 2.262992 0.991525
H -0.744882 -3.074205 -0.648404
H 0.186170 -1.992640 -1.719052
H 0.953816 -2.748150 -0.279880
H -0.770601 -2.369339 1.946716
H 0.743826 -1.419543 1.999673
H -0.820729 -0.613326 2.305901
H 0.301172 2.058740 1.938704
H 1.195627 2.782624 0.554293
H -0.388518 3.448606 1.046875
H -1.334619 3.131703 -1.338688
H 0.244953 2.455354 -1.872642
H -1.273587 1.518399 -2.108376
H -4.165770 -0.754404 1.678366
H -4.395082 1.003044 1.495320
H 2.460532 -1.545932 -1.132829
H 2.288877 -1.373802 0.640474
H 4.941716 -2.064611 -1.181006
H 4.673291 -2.245812 0.588584
H 4.066118 0.143614 1.817686
H 3.881227 1.517842 0.659773
H 6.901762 -0.716801 -0.809086
H 6.869103 -1.424406 0.825794
H 6.389762 0.792625 1.641218
H 6.189333 1.372166 -0.036335
H -5.081260 0.663793 -0.908387
H -4.828688 -1.087540 -0.752804
H -6.598337 -1.198177 1.045544
H -6.850243 0.553650 0.914270
H -8.613795 -0.696743 -0.399831
H -7.344250 -1.488764 -1.376908
H -7.597573 0.274157 -1.503553


