%chk=000130829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130829

0 1
 O  -0.6023000       1.497700      -1.666700    
 O    3.171900      -1.699300       1.736500    
 N   -2.242700      -2.194200     -0.3069000    
 C   -1.338600      2.8899999E-02  0.1309000    
 C  -0.3050000       1.111700     -0.3160000    
 C   -2.763200      0.6034000      0.2606000    
 C  -0.4171000       2.383200      0.5609000    
 C   -2.804500       1.834400       1.158900    
 C   -1.845400       2.915100      0.6790000    
 C   -1.375600      -1.179600     -0.8160000    
 C    1.138500      0.5908000     -0.2556000    
 C    1.501000     -0.3273000      0.7253000    
 C    2.074300       1.039800      -1.182500    
 C   -1.801700      -2.674800       1.015700    
 C   -2.340500      -3.340800      -1.228900    
 C    2.811900     -0.8009000      0.7798000    
 C    3.385000      0.5663000      -1.128000    
 C    3.753900     -0.3542000     -0.1470000    
 H   -1.072100     -0.2675000       1.147300    
 H   -3.454700     -0.1381000      0.6767000    
 H   -3.149800      0.8723000     -0.7309000    
 H   0.2111000       3.182600      0.1466000    
 H  -3.9500002E-02   2.174600       1.570900    
 H   -2.549300       1.547000       2.186400    
 H   -3.824200       2.235500       1.184900    
 H   -2.178500       3.296000     -0.2940000    
 H   -1.865100       3.761500       1.374900    
 H  -0.3679000      -1.578900     -0.9809000    
 H   -1.741100     -0.8521000      -1.797700    
 H  -0.3368000      0.7786000      -2.264500    
 H   0.8178000     -0.6803000       1.488100    
 H    1.820500       1.768000      -1.947300    
 H   -1.999300      -1.947900       1.808500    
 H  -0.7403000      -2.948000       1.025000    
 H   -2.375600      -3.563200       1.307000    
 H   -2.699300      -3.011500      -2.210300    
 H   -3.067500      -4.072000     -0.8584000    
 H   -1.375200      -3.842500      -1.362200    
 H    4.119700      0.9168000      -1.847100    
 H    4.778500     -0.7148000     -0.1150000    
 H    4.113200      -1.917600       1.625600    


%chk=000130829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130829

0 1
O -0.622923 1.578605 -1.670995
O 3.237402 -1.517056 1.994643
N -2.196323 -2.321822 -0.198753
C -1.403913 0.057533 0.143123
C -0.320635 1.102663 -0.293352
C -2.811723 0.700807 0.189032
C -0.404630 2.382678 0.585331
C -2.856706 1.941602 1.106281
C -1.822829 2.989991 0.637912
C -1.403976 -1.200141 -0.764648
C 1.124120 0.561254 -0.233239
C 1.556311 -0.264426 0.832073
C 2.068482 0.958668 -1.217540
C -1.518900 -2.996513 0.928095
C -2.611860 -3.288492 -1.236376
C 2.898749 -0.694053 0.902113
C 3.408742 0.522511 -1.139537
C 3.838993 -0.309486 -0.083048
H -1.148152 -0.252059 1.176601
H -3.533014 -0.070911 0.515279
H -3.093326 1.006669 -0.838870
H 0.321195 3.115127 0.185431
H -0.069142 2.115641 1.606944
H -2.636022 1.642081 2.152879
H -3.874256 2.378066 1.105832
H -2.097610 3.349218 -0.371754
H -1.820197 3.868160 1.312975
H -0.351506 -1.518878 -0.980482
H -1.873442 -0.932188 -1.733113
H -0.538428 0.808897 -2.290766
H 0.875936 -0.589656 1.624778
H 1.744724 1.621398 -2.025390
H -1.327023 -2.283715 1.748158
H -0.540768 -3.458199 0.637947
H -2.172971 -3.793252 1.325082
H -3.195768 -2.769379 -2.017314
H -3.258351 -4.062312 -0.784272
H -1.752564 -3.808119 -1.733208
H 4.128969 0.835735 -1.903779
H 4.882252 -0.646675 -0.025570
H 4.195582 -1.761270 1.965095


