%chk=000046489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046489

0 1
 O   2.8000001E-02  -1.994100      0.9729000    
 O   -1.051300       1.710700      -1.405000    
 O   -3.824500     -0.1859000     -5.2999998E-03
 O    4.121400      -1.984400      -1.063600    
 O   0.5811000     -5.1100001E-02  -3.211500    
 O   -1.105300       3.076000      0.4478000    
 N   0.2487000     -0.8560000      -1.045400    
 N    2.369100     -0.9127000      -2.079900    
 N  -0.2148000       3.795900      -1.546000    
 C    2.256900      -1.275800      0.3388000    
 C    2.723400      -2.372300       1.324100    
 C   0.7414000      -1.440400      0.1338000    
 C    2.605200      9.4999999E-02  0.9628000    
 C    3.014600      -1.453500     -0.9805000    
 C   -1.194600     -0.6877000      -1.165500    
 C   -1.678900      0.6688000     -0.6569000    
 C    1.029100     -0.5485000      -2.175200    
 C    2.418000      -3.753400      0.7860000    
 C   -3.190800      0.8423000     -0.7601000    
 C    1.666900      0.7614000       1.751300    
 C    3.857600      0.6662000      0.7371000    
 C   -5.238800     -6.6200003E-02 -5.0799999E-02
 C   -5.883300      -1.176100      0.7842000    
 C    1.981200       1.998400       2.313900    
 C    4.172000       1.903200       1.299900    
 C    3.233800       2.569300       2.088200    
 C   -7.405400      -1.102200      0.6846000    
 C   -5.442000      -1.100600       2.247400    
 C  -0.8186000       2.873800     -0.7273000    
 H    2.238600      -2.254900       2.302400    
 H    3.803000      -2.296500       1.510400    
 H   -1.475800     -0.7999000      -2.219800    
 H   -1.695500      -1.495000     -0.6196000    
 H   -1.388300      0.7251000      0.4009000    
 H    2.909100     -0.8568000      -2.939000    
 H    2.903200      -3.962000     -0.1710000    
 H    2.797400      -4.500700       1.493000    
 H    1.351200      -3.958100      0.6719000    
 H   -3.488600       1.825000     -0.3755000    
 H   -3.506800      0.7882000      -1.809400    
 H   0.6885000      0.3433000       1.963900    
 H    4.624000      0.1746000      0.1477000    
 H   -5.572900     -0.1457000      -1.092400    
 H   -5.536700      0.9170000      0.3341000    
 H   -5.550500      -2.145300      0.3913000    
 H    1.251900       2.516000       2.930200    
 H    5.148800       2.346100       1.128300    
 H    3.479000       3.531700       2.527600    
 H   -7.784500     -0.1521000       1.076100    
 H   -7.872300      -1.913200       1.253400    
 H   -7.731800      -1.194400     -0.3566000    
 H   -5.717700     -0.1400000       2.695700    
 H   -4.357600      -1.219600       2.340900    
 H   -5.912800      -1.895600       2.835500    
 H   3.4000000E-03   3.580900      -2.513100    
 H   3.2900002E-02   4.719900      -1.208600    


%chk=000046489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046489

0 1
O -0.071861 -1.447688 1.128770
O -1.080812 1.806006 -1.280960
O -3.930058 -0.242687 -0.095289
O 4.150481 -1.863188 -1.086147
O 0.434155 -0.357984 -3.382239
O -0.970307 3.089973 0.704589
N 0.163226 -0.811039 -1.085647
N 2.287201 -1.013517 -2.149494
N -0.102115 3.849077 -1.343112
C 2.235983 -1.208878 0.335100
C 2.638468 -2.323745 1.354251
C 0.701829 -1.194774 0.168511
C 2.699156 0.185062 0.885488
C 2.976021 -1.419658 -0.997351
C -1.307059 -0.611404 -1.186920
C -1.766767 0.709404 -0.552553
C 0.923999 -0.682194 -2.271361
C 2.271927 -3.754641 0.910240
C -3.282659 0.914674 -0.709027
C 1.779804 1.135087 1.393940
C 4.087157 0.483388 0.925496
C -5.393811 -0.115860 -0.036197
C -5.956487 -1.342121 0.701678
C 2.234766 2.366729 1.917133
C 4.539105 1.709364 1.458412
C 3.615364 2.659452 1.953245
C -7.502491 -1.316052 0.651171
C -5.435129 -1.406104 2.154919
C -0.734335 2.946669 -0.521820
H 2.141024 -2.083350 2.309846
H 3.728679 -2.246937 1.509301
H -1.563200 -0.628740 -2.257972
H -1.819098 -1.432733 -0.660873
H -1.499872 0.757133 0.517149
H 2.808559 -1.025935 -3.032187
H 2.781170 -4.029664 -0.030875
H 2.589667 -4.478547 1.681739
H 1.181443 -3.871337 0.778471
H -3.580148 1.853950 -0.195958
H -3.548766 0.994302 -1.786461
H 0.706248 0.930499 1.413439
H 4.812768 -0.238115 0.534306
H -5.804793 -0.054980 -1.069254
H -5.666139 0.820054 0.503884
H -5.597543 -2.240464 0.159558
H 1.496763 3.085585 2.288475
H 5.613802 1.921736 1.484086
H 3.968736 3.612176 2.363229
H -7.899218 -0.419852 1.166450
H -7.921345 -2.204194 1.157591
H -7.879330 -1.308454 -0.389104
H -5.802408 -0.540300 2.740238
H -4.332281 -1.391483 2.175394
H -5.784109 -2.326727 2.657681
H 0.067514 3.621099 -2.320264
H 0.236423 4.720029 -0.944614


