%chk=000046411.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046411

0 1
 O  -0.7185000       1.127600       1.050900    
 O   -1.272300     -0.9086000     -2.9100001E-02
 O  -0.1280000     -2.0300001E-02  -2.214900    
 C    1.060200     -0.1567000     -5.3599998E-02
 C  -0.2926000     -0.2090000      0.7517000    
 C    2.149800      0.6043000      0.7668000    
 C    1.486600      -1.627200     -0.3679000    
 C   0.8647000      0.5953000      -1.404400    
 C    3.513900      0.7277000      9.7099997E-02
 C    1.754700      -2.525900      0.8346000    
 C  -0.9829000       1.906900     -0.1056000    
 C   -2.527600      -1.028000      0.6268000    
 C   -1.422400       3.290900      0.3225000    
 C   -3.485700      -1.777000     -0.2748000    
 H  -0.1536000     -0.7221000       1.709100    
 H    1.800900       1.621200      0.9862000    
 H    2.279900      0.1214000       1.742400    
 H    2.391800      -1.626200     -0.9877000    
 H   0.7223000      -2.119100     -0.9829000    
 H    1.769900      0.2989000      -1.962000    
 H    1.019300       1.662200      -1.569600    
 H    3.954100     -0.2505000     -0.1136000    
 H    3.464400       1.300600     -0.8328000    
 H    4.202500       1.256600      0.7651000    
 H    2.082400      -3.512700      0.4898000    
 H    2.546100      -2.124400       1.472900    
 H   0.8569000      -2.677500       1.439400    
 H  -0.1071000      0.4208000      -3.081300    
 H  -7.2200000E-02   2.267000     -0.5208000    
 H   -1.695600       1.462900     -0.8024000    
 H   -2.398100      -1.577400       1.565800    
 H   -2.941800     -3.9799999E-02  0.8510000    
 H   -1.556500       3.952200     -0.5394000    
 H   -2.372800       3.232300      0.8641000    
 H  -0.7003000       3.745200       1.010800    
 H   -4.462700      -1.892800      0.2025000    
 H   -3.616100      -1.245700      -1.223300    
 H   -3.090800      -2.769000     -0.5175000    


%chk=000046411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046411

0 1
O -0.420939 1.551801 0.802075
O -1.176369 -0.610522 0.011248
O 0.255042 0.283771 -2.463848
C 1.247051 -0.110349 -0.219576
C -0.077000 0.134059 0.588757
C 2.393564 0.414086 0.716433
C 1.391946 -1.628849 -0.548526
C 1.329789 0.690459 -1.539695
C 3.842075 0.250809 0.204007
C 1.387051 -2.589791 0.660383
C -1.090374 2.264028 -0.320470
C -2.266326 -0.873989 0.977474
C -2.405906 2.868118 0.180770
C -3.415713 -1.515984 0.203229
H 0.096557 -0.202791 1.634121
H 2.192719 1.480987 0.937223
H 2.309513 -0.112769 1.687501
H 2.335626 -1.766661 -1.115068
H 0.568438 -1.893864 -1.232799
H 2.316712 0.485604 -2.003295
H 1.265568 1.776667 -1.323330
H 4.081849 -0.804460 -0.021085
H 4.039596 0.845058 -0.706765
H 4.554377 0.594805 0.976626
H 1.518574 -3.632532 0.316726
H 2.201994 -2.372142 1.375653
H 0.427484 -2.544678 1.206280
H 0.478852 0.601971 -3.374111
H -0.404959 3.072599 -0.645679
H -1.250245 1.565346 -1.160483
H -1.886727 -1.553960 1.772081
H -2.577379 0.075744 1.456397
H -2.853827 3.512506 -0.600174
H -3.135732 2.079822 0.436111
H -2.232255 3.484323 1.080944
H -4.251563 -1.761463 0.884088
H -3.787059 -0.829409 -0.577311
H -3.079204 -2.444252 -0.290011


