%chk=000040352.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040352

0 1
 O    2.102700      -1.009200       1.145700    
 O    2.032400     -0.8555000      -1.258900    
 N   -1.996400      -1.182500      5.1500000E-02
 N   -5.168600      0.7758000      0.2694000    
 C    1.783100      -1.683700     -9.6400000E-02
 C   0.3004000      -2.053400     -7.6600000E-02
 C  -0.6036000     -0.8326000      9.9999998E-03
 C    2.651300      -2.936800     -0.2016000    
 C    2.532200      0.2010000      0.6919000    
 C    2.492100      0.2886000     -0.6808000    
 C   -2.849300      3.5999999E-03  0.1448000    
 C   -4.319300     -0.4050000      0.1584000    
 C    2.967300       1.250600       1.474200    
 C    2.885200       1.430700      -1.347400    
 C    3.370700       2.419200      0.8241000    
 C    3.329900       2.508900     -0.5786000    
 C   -6.580000      0.3918000      0.3202000    
 C   -4.930200       1.688500     -0.8498000    
 H   9.6799999E-02  -2.706300      0.7824000    
 H   5.0200000E-02  -2.614000     -0.9869000    
 H  -0.3549000     -0.2618000      0.9122000    
 H  -0.4190000     -0.1811000     -0.8525000    
 H    2.497800      -3.600800      0.6555000    
 H    2.447000      -3.486400      -1.126400    
 H    3.713600      -2.666500     -0.2146000    
 H   -2.247700      -1.722500     -0.7761000    
 H   -2.611700      0.5637000       1.057700    
 H   -2.620000      0.6370000     -0.7180000    
 H   -4.560300     -0.9816000     -0.7452000    
 H   -4.494600      -1.063900       1.018900    
 H    2.997100       1.177400       2.555300    
 H    2.851900       1.495600      -2.428900    
 H    3.719600       3.268000       1.406100    
 H    3.647600       3.426000      -1.067100    
 H   -6.768500     -0.2705000       1.172700    
 H   -6.902300     -0.1211000     -0.5933000    
 H   -7.214900       1.273200      0.4642000    
 H   -5.684100       2.485600     -0.8580000    
 H   -4.974700       1.183500      -1.821700    
 H   -3.974400       2.212600     -0.7544000    


%chk=000040352-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040352

0 1
O 2.018114 -0.834888 1.171448
O 2.145755 -0.756295 -1.231143
N -2.081058 -0.994087 -0.206125
N -5.480744 0.669722 0.173888
C 1.719898 -1.639479 -0.074975
C 0.215643 -1.897541 -0.164846
C -0.651503 -0.626750 -0.091469
C 2.597770 -2.888258 -0.069350
C 2.768520 0.285283 0.749923
C 2.844210 0.331179 -0.660839
C -3.024011 0.127796 0.004292
C -4.473904 -0.393801 -0.046389
C 3.358545 1.264292 1.553805
C 3.514077 1.358570 -1.331001
C 4.046998 2.316450 0.885743
C 4.123136 2.362515 -0.525697
C -6.782123 0.125498 0.613138
C -5.636244 1.578513 -0.980518
H -0.077979 -2.579170 0.654224
H 0.029734 -2.431538 -1.118302
H -0.499906 -0.142182 0.890248
H -0.319314 0.098136 -0.872604
H 2.356565 -3.515187 0.805850
H 2.429571 -3.474404 -0.988985
H 3.662309 -2.604258 -0.019934
H -2.270491 -1.471918 -1.100407
H -2.842089 0.557001 1.006714
H -2.879682 0.955570 -0.733201
H -4.643212 -0.927578 -1.022307
H -4.582158 -1.150448 0.751599
H 3.290609 1.220126 2.644028
H 3.564184 1.386137 -2.422785
H 4.525321 3.101424 1.480650
H 4.659937 3.182839 -1.013423
H -6.645085 -0.475408 1.529430
H -7.278598 -0.521733 -0.155377
H -7.470576 0.956863 0.850281
H -6.350643 2.381455 -0.724793
H -6.014613 1.058077 -1.898973
H -4.672562 2.053575 -1.229819


