%chk=000002242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002242

0 1
 O    2.841900      -2.312400      0.7393000    
 O   -2.106200      -1.435200       1.207000    
 O    1.909700      -2.019700      -1.342400    
 O   -4.268800      0.9045000       1.566400    
 O   -3.424900       2.070400     -0.1912000    
 N  -0.4010000     -0.9666000     -0.2934000    
 N   -2.894500      -1.971500      -1.793600    
 C   0.6892000      -1.268900      0.6034000    
 C    1.108000     -4.2599998E-02   1.427900    
 C   -2.695100     -0.7337000      -1.038700    
 C    1.665700       1.104300      0.6155000    
 C   -1.729300      -1.077900      9.2699997E-02
 C    1.871100      -1.898200     -0.1222000    
 C   -4.045500     -0.2423000     -0.5167000    
 C    3.027100       1.159300      0.3682000    
 C   0.8039000       2.075800      0.1351000    
 C    3.541800       2.217100     -0.3815000    
 C    1.318600       3.133500     -0.6145000    
 C   -3.881500       1.033900      0.2735000    
 C    2.687500       3.204100     -0.8728000    
 C    3.982300      -2.934000      0.1379000    
 H   0.3266000      -2.038300       1.297900    
 H   0.2480000      0.3212000       2.007000    
 H    1.852800     -0.3348000       2.180400    
 H  -0.1778000     -0.6616000      -1.236500    
 H   -2.247700      2.6200000E-02  -1.689700    
 H   -4.742400     -3.7099998E-02  -1.337900    
 H   -4.522600     -0.9962000      0.1227000    
 H    3.703900      0.4013000      0.7506000    
 H  -0.2635000       2.031100      0.3314000    
 H   -1.997600      -2.326100      -2.123100    
 H   -3.291300      -2.692000      -1.191700    
 H    4.607900       2.272900     -0.5812000    
 H   0.6534000       3.902200     -0.9970000    
 H    3.088200       4.027900      -1.456200    
 H    3.681400      -3.838100     -0.3996000    
 H    4.676400      -3.213700      0.9348000    
 H    4.484800      -2.232300     -0.5348000    
 H   -4.143900       1.736300       2.071100    


%chk=000002242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002242

0 1
O 2.933353 -2.269702 0.460475
O -2.018511 -1.675179 1.309826
O 1.894849 -1.752443 -1.558957
O -4.737190 1.882535 0.568880
O -2.526586 1.737077 -0.109113
N -0.438849 -1.088933 -0.291752
N -3.375012 -2.313989 -1.425368
C 0.701879 -1.387343 0.577532
C 1.095215 -0.191193 1.519557
C -2.843415 -1.027119 -0.920503
C 1.680210 1.009095 0.791273
C -1.734298 -1.261011 0.137780
C 1.872059 -1.814363 -0.307680
C -4.007199 -0.237125 -0.294231
C 3.086421 1.199980 0.742797
C 0.840807 1.949232 0.136042
C 3.646347 2.298251 0.051844
C 1.401521 3.045832 -0.558057
C -3.642728 1.188740 0.043967
C 2.803687 3.224650 -0.604815
C 4.152401 -2.659269 -0.293889
H 0.411544 -2.227834 1.236264
H 0.171950 0.078284 2.063115
H 1.818663 -0.585184 2.255341
H -0.231497 -0.750604 -1.235255
H -2.435852 -0.461625 -1.778480
H -4.866823 -0.241694 -0.987832
H -4.334600 -0.740817 0.636398
H 3.742287 0.488455 1.260720
H -0.247667 1.831604 0.172666
H -2.718334 -2.821115 -2.029312
H -3.724357 -2.914093 -0.667264
H 4.733866 2.434613 0.031044
H 0.740530 3.764211 -1.056518
H 3.233914 4.079116 -1.139634
H 3.917227 -3.471631 -1.001276
H 4.861653 -2.994061 0.475297
H 4.542411 -1.791229 -0.850978
H -4.463279 2.814683 0.788194


