%chk=000057602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057602

1 1
 O   0.5460000     -5.8499999E-02   2.050400    
 N   -3.188000     -0.5122000      8.8000000E-03
 C   -1.936100      0.1384000      0.5795000    
 C  -0.7133000     -0.6687000      0.1367000    
 C   -4.416600      0.2522000      0.4801000    
 C   -3.125800     -0.4850000      -1.511600    
 C   0.6522000     -8.1100002E-02  0.6125000    
 C   -3.273200      -1.954500      0.4872000    
 C   -4.472900      0.2216000       1.991900    
 C   -4.372700      -1.132800      -2.072900    
 C   0.9695000       1.335800      0.1113000    
 C    1.794200      -1.035200      0.2185000    
 C   0.5425000       1.695600      -1.143300    
 C    2.838200      -1.195300       1.093600    
 C    1.666600       2.180600      0.9394000    
 C    1.714500      -1.680100     -0.9893000    
 C   0.8310000       2.982200      -1.598700    
 C    3.873200      -2.059600      0.7365000    
 C    1.955100       3.467100      0.4843000    
 C    2.749400      -2.544400      -1.346500    
 C    1.537200       3.867900     -0.7849000    
 C    3.828800      -2.734000     -0.4835000    
 H   -1.912600       1.174600      0.2276000    
 H   -1.987200      0.1255000       1.670400    
 H  -0.7814000      -1.686800      0.5402000    
 H  -0.7008000     -0.7546000     -0.9430000    
 H   -4.354800       1.276800      9.7800002E-02
 H   -5.317500     -0.2318000      9.4899997E-02
 H   -3.024300      0.5555000      -1.838100    
 H   -2.281600      -1.073600      -1.871200    
 H   -2.908400      -2.023600       1.517000    
 H   -4.313500      -2.292900      0.4505000    
 H   -2.661800      -2.592900     -0.1589000    
 H   -5.431200      0.6531000       2.307300    
 H   -4.439200     -0.7791000       2.428100    
 H   -3.710900      0.8483000       2.462800    
 H   -4.256800      -1.216500      -3.160800    
 H   -4.556400      -2.147900      -1.713700    
 H   -5.272300     -0.5291000      -1.927800    
 H   0.4290000     -0.9719000       2.364400    
 H   8.0000004E-03   1.029800      -1.809700    
 H    2.902900     -0.6728000       2.042100    
 H    2.011800       1.889100       1.925800    
 H   0.9231000      -1.540900      -1.713400    
 H   0.5094000       3.293300      -2.588400    
 H    4.715600      -2.204700       1.406700    
 H    2.507400       4.156100       1.116500    
 H    2.720200      -3.062900      -2.300500    
 H    1.763200       4.869100      -1.140000    
 H    4.636100      -3.404700     -0.7630000    


%chk=000057602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057602

1 1
O 0.326754 -0.723175 1.827769
N -3.250671 -0.513182 -0.054065
C -1.833674 0.052206 0.221633
C -0.672483 -0.788479 -0.335241
C -4.297587 0.514819 0.456857
C -3.431195 -0.696146 -1.584456
C 0.641808 -0.391448 0.404862
C -3.433665 -1.845302 0.668295
C -4.212292 0.854200 1.949425
C -4.797475 -1.229826 -2.030792
C 0.887494 1.127699 0.249857
C 1.862292 -1.218416 -0.039197
C 1.271883 1.650330 -1.012775
C 3.149587 -0.786208 0.382972
C 0.701056 2.016866 1.334795
C 1.759710 -2.429803 -0.767845
C 1.463034 3.038135 -1.185871
C 4.299712 -1.549834 0.093867
C 0.901166 3.407466 1.163801
C 2.912589 -3.189521 -1.068889
C 1.277951 3.922996 -0.096458
C 4.185193 -2.756421 -0.634730
H -1.821038 1.074290 -0.193769
H -1.730214 0.107536 1.315888
H -0.841849 -1.861688 -0.140715
H -0.536745 -0.635166 -1.419623
H -4.154144 1.419934 -0.159544
H -5.284864 0.086366 0.220220
H -3.223456 0.292595 -2.030561
H -2.633045 -1.387597 -1.899128
H -3.002553 -1.769585 1.676467
H -4.505288 -2.082849 0.733734
H -2.915340 -2.638862 0.111610
H -5.048200 1.537340 2.182598
H -4.331473 -0.029661 2.598447
H -3.282770 1.378398 2.222215
H -4.755449 -1.384184 -3.123472
H -5.041037 -2.206306 -1.579598
H -5.625889 -0.528499 -1.840600
H 1.170850 -0.947156 2.295625
H 1.454143 0.969633 -1.853763
H 3.253766 0.164008 0.920239
H 0.415005 1.613697 2.311630
H 0.788506 -2.797161 -1.115419
H 1.770837 3.428253 -2.162006
H 5.282613 -1.201005 0.427334
H 0.769669 4.084280 2.015154
H 2.817587 -4.119474 -1.639563
H 1.437999 4.998395 -0.227499
H 5.076995 -3.347988 -0.866115


