%chk=000052485.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052485

0 1
 O    4.783500      -2.281200      0.1386000    
 N    3.374400       1.511700      0.4258000    
 N  -0.6970000      -1.496300     -0.3999000    
 N   -2.963100       1.965100      -1.104700    
 C    3.701900      0.2248000      0.9834000    
 C    2.864200     -0.8703000      0.4097000    
 C    3.578400       1.529600      -1.030200    
 C    4.169900       2.580400       1.047900    
 C    1.489600     -0.6776000      0.2733000    
 C   0.6881000      -1.689700     -0.2611000    
 C    3.442400      -2.076100      1.2500000E-02
 C   -1.483100     -0.3413000     -0.6234000    
 C    3.235400       2.881100      -1.621900    
 C    3.926600       2.655800       2.541100    
 C   -2.794100     -0.2364000     -0.1392000    
 C    1.271000      -2.896000     -0.6582000    
 C    2.645700      -3.088900     -0.5215000    
 C   -3.507700      0.9507000     -0.4065000    
 C   -3.393600      -1.275300      0.5929000    
 C  -0.9194000      0.7022000      -1.343000    
 C   -4.809900       1.054400      7.4699998E-02
 C   -5.406200      2.1700000E-02  0.8026000    
 C   -4.697500      -1.144700       1.062100    
 C   -1.695100       1.823900      -1.554300    
 C   -6.804500      0.1722000       1.299500    
 H    3.507500      0.1883000       2.061800    
 H    4.772100      1.8900000E-02  0.8551000    
 H    4.613100       1.271900      -1.291900    
 H    2.931800      0.8015000      -1.531100    
 H    5.242300       2.457500      0.8502000    
 H    3.872900       3.561600      0.6648000    
 H    1.037800      0.2478000      0.6224000    
 H    2.272600       3.254800      -1.256500    
 H    4.008400       3.633000      -1.435300    
 H    3.153000       2.791500      -2.711400    
 H    2.857300       2.656700       2.778700    
 H    4.409600       1.838700       3.085600    
 H    4.349200       3.586300       2.937100    
 H   -1.222500      -2.363900     -0.4483000    
 H   0.6620000      -3.693300      -1.077100    
 H    3.082600      -4.033000     -0.8356000    
 H   -2.869100      -2.198400      0.8238000    
 H   8.0499999E-02  0.6607000      -1.760000    
 H   -5.377400       1.962800     -0.1235000    
 H   -5.146500      -1.957200       1.626600    
 H   -1.309600       2.669100      -2.115200    
 H    5.000700      -3.171200     -0.1881000    
 H   -6.983600     -0.4521000       2.181500    
 H   -7.006600       1.207700       1.593900    
 H   -7.514000     -0.1174000      0.5180000    


%chk=000052485-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052485

0 1
O 4.944610 -2.510469 -0.064417
N 3.599632 1.510740 0.309290
N -0.625868 -1.471430 -0.034409
N -2.911983 1.946381 -1.276375
C 4.137531 0.138244 0.475801
C 3.115959 -0.951947 0.164587
C 3.557940 1.905230 -1.127254
C 4.292827 2.503583 1.173977
C 1.732120 -0.685376 0.174730
C 0.779313 -1.704499 -0.086448
C 3.549814 -2.280875 -0.087556
C -1.337288 -0.327711 -0.408353
C 2.599154 3.075959 -1.415603
C 3.884930 2.396320 2.656082
C -2.734064 -0.209616 -0.021206
C 1.235032 -3.023294 -0.340805
C 2.615045 -3.311622 -0.329655
C -3.476918 0.936723 -0.501158
C -3.415056 -1.155852 0.810307
C -0.784392 0.712142 -1.183983
C -4.863453 1.061118 -0.165732
C -5.522535 0.114772 0.627151
C -4.767387 -1.000624 1.123028
C -1.603780 1.805534 -1.578374
C -6.992736 0.252482 0.978979
H 4.466612 0.013373 1.525001
H 5.049480 -0.035559 -0.143649
H 4.582080 2.150328 -1.509350
H 3.216276 1.019935 -1.695675
H 5.405853 2.420503 1.079211
H 4.022950 3.511098 0.811035
H 1.429750 0.337542 0.417528
H 1.586605 2.843117 -1.041037
H 2.927632 4.016701 -0.938836
H 2.540664 3.261068 -2.504389
H 2.793162 2.522338 2.758501
H 4.156890 1.418320 3.093023
H 4.390628 3.178894 3.252038
H -1.188248 -2.276453 0.242922
H 0.514424 -3.820903 -0.556737
H 2.957798 -4.336732 -0.521942
H -2.875761 -2.005053 1.249374
H 0.251726 0.671697 -1.525456
H -5.386055 1.940151 -0.557524
H -5.263309 -1.734943 1.769682
H -1.165296 2.603176 -2.191606
H 5.145767 -3.453532 -0.284500
H -7.138872 0.309078 2.074474
H -7.431501 1.160102 0.531656
H -7.573702 -0.618061 0.619353


