%chk=000039188.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039188

0 1
 O   0.8793000      -2.293800     -7.7399999E-02
 O   -5.046100       1.892300       1.122700    
 N    1.931800      0.2826000      8.8200003E-02
 C  -0.8929000     -0.8378000      0.7684000    
 C  -3.1199999E-02  -1.246800     -0.4444000    
 C   0.7170000      0.1006000     -0.7101000    
 C   0.1275000     -0.3309000       1.903300    
 C   -1.683300      -2.076500       1.264200    
 C  -0.8730000      -1.877800      -1.582300    
 C   -1.837600      0.3364000      0.2560000    
 C    1.672900     -0.2336000       1.474700    
 C  -0.1272000      0.9778000      -1.642000    
 C   -2.506500      -2.745900      0.1568000    
 C   -1.665700      -3.088500      -1.072000    
 C   -1.502800       1.129600     -0.9176000    
 C    3.145600     -0.2192000     -0.5225000    
 C    4.334600      0.1788000      0.2959000    
 C    4.522300       1.700100      0.4716000    
 C    5.675300      0.1789000     -0.4676000    
 C   -3.026400      0.6361000      0.9349000    
 C    6.038100       1.452600      0.3241000    
 C   -2.387300       2.108600      -1.382200    
 C   -3.887300       1.627700      0.4559000    
 C   -3.577100       2.348600     -0.6985000    
 H    1.260600     -0.2777000      -1.594700    
 H   7.1199998E-02 -0.9846000       2.782100    
 H  -0.1836000      0.6671000       2.238100    
 H   -2.350900      -1.810200       2.091300    
 H   -1.002500      -2.821400       1.694400    
 H  -0.2069000      -2.217900      -2.385400    
 H   -1.585300      -1.187500      -2.040400    
 H    2.173200      0.4279000       2.192000    
 H    2.117900      -1.226800       1.613900    
 H  -0.2799000      0.5677000      -2.647100    
 H   0.3354000       1.967500      -1.731900    
 H   -3.333600      -2.092100     -0.1429000    
 H   -2.964900      -3.661200      0.5490000    
 H  -0.9965000      -3.926400     -0.8464000    
 H   -2.326900      -3.444600      -1.871300    
 H    3.130600      -1.308100     -0.6486000    
 H    3.250700      0.2124000      -1.527500    
 H    4.417500     -0.3658000       1.247400    
 H   0.4115000      -3.039400      0.3246000    
 H    4.206600       2.112400       1.433700    
 H    4.105600       2.317600     -0.3333000    
 H    5.599200      0.3475000      -1.548300    
 H    6.321800     -0.6849000     -0.2909000    
 H   -3.295400      0.1000000       1.840000    
 H    6.594000       2.214600     -0.2274000    
 H    6.547700       1.252700       1.273700    
 H   -2.144300       2.700500      -2.260200    
 H   -4.256200       3.116100      -1.060900    
 H   -5.108100       1.305400       1.895700    


%chk=000039188-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039188

0 1
O 0.570774 -3.122680 -0.182801
O -3.880885 2.724270 1.479693
N 1.839125 -0.423464 0.039807
C -0.850168 -1.225062 0.673921
C -0.148663 -1.877818 -0.566548
C 0.948686 -0.907990 -1.062040
C 0.205874 -1.033983 1.830126
C -1.983560 -2.177756 1.165335
C -1.174613 -2.240321 -1.675524
C -1.384589 0.172835 0.256920
C 1.677673 -1.079239 1.356577
C 0.278211 0.322180 -1.714711
C -3.008430 -2.537739 0.066487
C -2.299794 -3.168875 -1.155126
C -0.822955 0.901195 -0.833141
C 3.248748 -0.273353 -0.386825
C 4.029696 0.778917 0.411499
C 3.633918 2.287190 0.243941
C 5.474657 1.135697 -0.096385
C -2.404697 0.788031 1.029254
C 5.159905 2.648930 0.179875
C -1.303026 2.207070 -1.108320
C -2.868889 2.086773 0.731862
C -2.319884 2.811276 -0.348418
H 1.540377 -1.461535 -1.825343
H 0.065917 -1.827729 2.589409
H 0.004391 -0.066484 2.324034
H -2.493090 -1.745003 2.046767
H -1.504190 -3.108311 1.536368
H -0.630763 -2.715515 -2.514759
H -1.652181 -1.323871 -2.062747
H 2.296890 -0.528651 2.088997
H 2.033689 -2.133562 1.335592
H -0.127220 0.058709 -2.714143
H 1.056002 1.090239 -1.885461
H -3.543194 -1.622805 -0.255419
H -3.769850 -3.232306 0.470999
H -1.898170 -4.169229 -0.879534
H -3.024191 -3.356392 -1.970183
H 3.796505 -1.251991 -0.341068
H 3.250921 0.039871 -1.450038
H 4.064846 0.506659 1.483290
H -0.096734 -3.842354 -0.051464
H 3.031488 2.746139 1.044192
H 3.119360 2.457777 -0.719791
H 5.587113 0.928109 -1.177298
H 6.329222 0.688683 0.439079
H -2.838434 0.251252 1.883067
H 5.475816 3.376562 -0.586181
H 5.548440 2.977971 1.160125
H -0.859155 2.766816 -1.941075
H -2.685666 3.819345 -0.563039
H -4.186754 2.142219 2.218965


