%chk=000018904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018904

2 1
 N   -5.108400      -1.114900      9.9399999E-02
 N   -1.371700       2.053600     -0.6162000    
 N    4.058500      -1.411500     -0.6214000    
 C   -4.705200      0.1733000     -0.6036000    
 C   -3.246100      0.5035000     -0.3209000    
 C   -6.565000      -1.427900     -0.2114000    
 C   -4.228600      -2.256200     -0.3896000    
 C   -4.934900     -0.9486000       1.602200    
 C   -2.791500       1.813300     -0.9584000    
 C    3.287400       1.635100       1.238500    
 C    2.658300       2.733800      0.3580000    
 C    3.347000      0.2932000      0.5662000    
 C    1.227900       2.493600      1.1400000E-02
 C    2.346600     -0.6965000      0.6178000    
 C  -0.4399000       1.571600      -1.434500    
 C   -1.102600       2.738900      0.4921000    
 C    2.818300      -1.769000     -0.1422000    
 C    4.386100     -0.1536000     -0.1915000    
 C   0.8994000       1.781700      -1.138300    
 C   0.2194000       2.979200      0.8384000    
 C    1.082000     -0.8034000       1.229700    
 C    2.085600      -2.947700     -0.3216000    
 C    4.905600      -2.234000      -1.458300    
 C   0.3378000      -1.976400       1.059200    
 C   0.8338000      -3.030900      0.2950000    
 H   -5.367600      0.9693000     -0.2432000    
 H   -4.876500      3.5000000E-02  -1.677700    
 H   -3.057300      0.5882000      0.7532000    
 H   -2.585400     -0.2845000     -0.6962000    
 H   -6.669800      -1.543800      -1.294200    
 H   -6.840900      -2.355400      0.2992000    
 H   -7.180700     -0.5978000      0.1474000    
 H   -3.216500      -2.149900      8.8000000E-03
 H   -4.653500      -3.193600     -1.5900001E-02
 H   -4.228900      -2.257300      -1.483600    
 H   -3.873900     -0.9495000       1.863100    
 H   -5.422600     -2.0000000E-02   1.913100    
 H   -5.413300      -1.802400       2.093200    
 H   -3.382300       2.664100     -0.5997000    
 H   -2.884900       1.785200      -2.050200    
 H    2.733300       1.550400       2.181900    
 H    4.305300       1.944800       1.508900    
 H    3.244000       2.848800     -0.5642000    
 H    2.749600       3.695800      0.8792000    
 H  -0.7626000       1.023200      -2.310800    
 H   -1.933700       3.084100       1.094700    
 H    5.325800      0.3077000     -0.4645000    
 H    1.664500       1.397100      -1.805200    
 H   0.4496000       3.533500       1.742800    
 H   0.6809000      2.3000001E-03   1.837300    
 H    2.465800      -3.772100     -0.9154000    
 H    5.830500      -1.697500      -1.684900    
 H    5.135400      -3.155100     -0.9168000    
 H    4.367800      -2.451800      -2.384600    
 H  -0.6384000      -2.064100       1.528900    
 H   0.2385000      -3.932500      0.1753000    


%chk=000018904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018904

2 1
N -4.729125 -1.399241 0.001939
N -1.229200 2.269603 -0.629986
N 3.445243 -1.499693 -0.774629
C -4.338910 -0.010150 -0.564018
C -2.921401 0.472484 -0.199836
C -6.176471 -1.685174 -0.425608
C -3.821450 -2.496641 -0.561871
C -4.655675 -1.412889 1.530367
C -2.639402 1.839583 -0.885124
C 3.339346 1.669734 1.242788
C 2.902254 2.956617 0.405818
C 3.118586 0.351747 0.551780
C 1.469013 2.840477 -0.006645
C 1.977228 -0.537316 0.706816
C -0.221952 1.827204 -1.463108
C -0.926597 3.043854 0.473782
C 2.211696 -1.685358 -0.136920
C 3.983748 -0.281061 -0.351631
C 1.113185 2.106059 -1.179141
C 0.401135 3.334967 0.794842
C 0.809572 -0.508022 1.515191
C 1.312525 -2.772921 -0.202717
C 4.105737 -2.478529 -1.652282
C -0.088434 -1.594893 1.459148
C 0.156764 -2.713343 0.604394
H -5.104053 0.693437 -0.189237
H -4.456467 -0.091553 -1.659939
H -2.811028 0.594884 0.892257
H -2.152205 -0.250477 -0.525227
H -6.240797 -1.664347 -1.524202
H -6.468676 -2.679538 -0.056008
H -6.839989 -0.919854 0.005267
H -2.787068 -2.342646 -0.219779
H -4.185257 -3.470779 -0.200710
H -3.868047 -2.471590 -1.661534
H -3.607696 -1.323481 1.850188
H -5.252755 -0.578995 1.930362
H -5.066500 -2.366871 1.894231
H -3.314815 2.625672 -0.505574
H -2.783345 1.772265 -1.977773
H 2.801526 1.688233 2.208345
H 4.409264 1.818248 1.473750
H 3.560945 3.026254 -0.476813
H 3.072618 3.845397 1.038018
H -0.526716 1.250874 -2.339673
H -1.768395 3.405683 1.068696
H 4.964648 0.038818 -0.702080
H 1.885440 1.743517 -1.861002
H 0.605175 3.943027 1.680790
H 0.638024 0.315006 2.219978
H 1.517099 -3.653279 -0.820283
H 5.031775 -2.042396 -2.056603
H 4.367217 -3.393614 -1.092442
H 3.451096 -2.749815 -2.498643
H -0.945484 -1.621447 2.145447
H -0.520952 -3.575331 0.626744


