%chk=000102757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102757

0 1
 O  -0.4857000      0.6194000      0.5185000    
 O   -1.075400     -0.4665000       2.494300    
 O    3.937200      0.4672000       2.150400    
 N    2.067800      0.1385000      0.8177000    
 C    1.249600     -0.4885000       1.824900    
 C    1.456100      -2.010100       1.862200    
 C    1.034800      -2.734400      0.6034000    
 C  -0.2229000     -0.1211000       1.681900    
 C  -0.2653000      -3.197900      0.4923000    
 C    1.957600      -2.918900     -0.4124000    
 C   -1.791300      0.9672000      0.3547000    
 C    3.362700      0.5701000       1.069800    
 C   -4.007200      0.4629000     -0.5140000    
 C   -4.485900       1.684000      1.7700000E-02
 C   -2.657000      0.1192000     -0.3366000    
 C   -2.262100       2.167900      0.8778000    
 C    4.064700       1.220700     -6.6399999E-02
 C   -3.600500       2.525300      0.7111000    
 C  -0.6540000      -3.866000     -0.6688000    
 C    1.568700      -3.586900      -1.573600    
 C   -4.892800     -0.3784000      -1.207100    
 C   0.2629000      -4.060400      -1.701800    
 C   -5.835900       2.027900     -0.1595000    
 C   -6.230900     -2.0700000E-02  -1.373900    
 C   -6.701600       1.180300     -0.8511000    
 C    5.055400       2.142200      0.2027000    
 C    3.703900      0.8824000      -1.354100    
 C    5.714800       2.753000     -0.8639000    
 C    4.363500       1.493100      -2.420700    
 C    5.368900       2.428500      -2.175500    
 H    1.559800     -7.4800000E-02   2.793200    
 H   0.9038000      -2.433800       2.712000    
 H    2.512100      -2.235200       2.064800    
 H    1.632000      0.3067000     -8.2599998E-02
 H  -0.9872000      -3.057500       1.291100    
 H    2.977200      -2.555700     -0.3223000    
 H   -2.273600     -0.8156000     -0.7415000    
 H   -1.592700       2.832600       1.417000    
 H   -3.946600       3.468700       1.128400    
 H   -1.670800      -4.234700     -0.7685000    
 H    2.282600      -3.738200      -2.378000    
 H   -4.546600      -1.321900      -1.624000    
 H  -3.9999999E-02  -4.580300      -2.605900    
 H   -6.225700       2.961600      0.2408000    
 H   -6.905400     -0.6802000      -1.912200    
 H   -7.743500       1.458100     -0.9813000    
 H    5.333100       2.409700       1.217900    
 H    2.953500      0.1350000      -1.588800    
 H    6.497000       3.482000     -0.6733000    
 H    4.100400       1.234800      -3.442300    
 H    5.883500       2.902800      -3.006000    


%chk=000102757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102757

0 1
O -0.504666 0.500671 0.849213
O -0.827678 -0.248061 3.052125
O 4.136496 0.289718 2.014755
N 2.093976 0.287945 0.922281
C 1.418869 -0.341084 2.057553
C 1.610056 -1.907772 2.093909
C 1.036736 -2.612773 0.877159
C -0.072323 -0.021321 2.090397
C -0.300623 -3.089984 0.878325
C 1.815076 -2.777315 -0.298850
C -1.896605 0.786540 0.629158
C 3.451552 0.550007 0.970593
C -3.869562 0.471385 -0.768181
C -4.580802 1.438025 0.046275
C -2.508083 0.157547 -0.449165
C -2.573426 1.740116 1.445862
C 4.069013 1.163388 -0.259309
C -3.899748 2.053123 1.149328
C -0.849439 -3.708108 -0.267948
C 1.269478 -3.395725 -1.447014
C -4.549986 -0.145937 -1.869828
C -0.066342 -3.861308 -1.436236
C -5.943178 1.748869 -0.275274
C -5.878209 0.176626 -2.156755
C -6.580815 1.131946 -1.354003
C 5.335024 1.785226 -0.110537
C 3.460775 1.124191 -1.542048
C 5.973460 2.379373 -1.218340
C 4.103100 1.715718 -2.651770
C 5.357234 2.349857 -2.492068
H 1.874680 0.046933 2.988521
H 1.134589 -2.269558 3.023357
H 2.698412 -2.073384 2.180168
H 1.516928 0.553885 0.123543
H -0.911759 -2.979415 1.782684
H 2.855623 -2.430998 -0.307767
H -1.950065 -0.575343 -1.041638
H -2.054428 2.202736 2.289364
H -4.437963 2.781495 1.766462
H -1.881290 -4.077023 -0.245920
H 1.887332 -3.523344 -2.343286
H -4.011476 -0.877072 -2.484228
H -0.487262 -4.349240 -2.322746
H -6.479986 2.479450 0.341419
H -6.390337 -0.300847 -2.999231
H -7.622207 1.375247 -1.591018
H 5.795779 1.782660 0.882697
H 2.505171 0.608586 -1.697686
H 6.948324 2.862825 -1.092200
H 3.630585 1.676045 -3.639308
H 5.852991 2.809575 -3.354292


