%chk=000039258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039258

0 1
 O   -1.190500     -0.3139000       2.101300    
 O   0.1864000      -2.231500      0.3450000    
 N   0.9971000     -0.1486000     -0.4129000    
 N    4.620000     -0.9504000     -0.6096000    
 C   -1.098700     -0.1621000      0.6985000    
 C  -0.6836000       1.227000      0.2917000    
 C   0.5496000       1.178400     -0.3610000    
 C   8.5800000E-02  -1.020900      0.2020000    
 C    2.238200     -0.5653000      -1.021600    
 C   -2.374100     -0.6118000      7.3399998E-02
 C   -1.333200       2.434500      0.4882000    
 C    1.164800       2.320400     -0.8439000    
 C    3.369500     -0.5123000      8.9999998E-04
 C   -2.482100     -0.6905000      -1.315900    
 C   -3.463000     -0.9556000      0.8762000    
 C  -0.7265000       3.597300      6.8999999E-03
 C   0.5116000       3.540200     -0.6547000    
 C   3.1000001E-03  0.1010000       2.757500    
 C   -3.676100      -1.111600      -1.901100    
 C   -4.657000      -1.376800      0.2908000    
 C    5.708700     -0.9154000      0.3563000    
 C   -4.763500      -1.454800      -1.097900    
 C    7.013400      -1.377300     -0.2701000    
 H    2.113400      -1.596900      -1.373900    
 H    2.449500      5.3599998E-02  -1.900600    
 H   -2.288200       2.483200       1.000000    
 H    2.123500       2.292500      -1.348700    
 H    3.473300      0.5095000      0.3862000    
 H    3.119400      -1.158400      0.8517000    
 H   -1.651100     -0.4287000      -1.965100    
 H   -3.428700     -0.9042000       1.960300    
 H   -1.216000       4.557500      0.1460000    
 H   0.9664000       4.457300      -1.019700    
 H    4.843900     -0.3530000      -1.404900    
 H   0.8824000     -0.4762000       2.458900    
 H  -0.1428000     -9.3500003E-02   3.825500    
 H   0.1850000       1.175300       2.666700    
 H   -3.759300      -1.172300      -2.982400    
 H   -5.504700      -1.642700      0.9155000    
 H    5.844300      0.1015000      0.7435000    
 H    5.480700      -1.569500       1.206000    
 H   -5.693300      -1.782300      -1.553600    
 H    6.930400      -2.403000     -0.6449000    
 H    7.303300     -0.7298000      -1.104500    
 H    7.818600      -1.352900      0.4712000    


%chk=000039258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039258

0 1
O -1.420228 -0.010664 2.178293
O 0.183164 -2.139290 0.619475
N 0.978651 -0.139553 -0.360769
N 4.674607 -0.936618 -0.524438
C -1.171419 0.016791 0.723828
C -0.695628 1.369720 0.213010
C 0.566168 1.221095 -0.420263
C 0.047864 -0.922215 0.343830
C 2.243336 -0.675292 -0.879758
C -2.446728 -0.524934 0.072274
C -1.298118 2.631603 0.300377
C 1.239264 2.315682 -0.993998
C 3.428473 -0.444076 0.089035
C -2.954290 0.003318 -1.139728
C -3.096618 -1.631326 0.675692
C -0.632847 3.751878 -0.265360
C 0.617098 3.587562 -0.908192
C -0.245959 0.292482 3.008709
C -4.106951 -0.558962 -1.734190
C -4.250330 -2.186502 0.083207
C 5.836450 -1.026207 0.389334
C -4.760116 -1.653415 -1.124228
C 7.076525 -1.552850 -0.352453
H 2.114699 -1.759812 -1.031504
H 2.451289 -0.212020 -1.864096
H -2.266817 2.743254 0.798906
H 2.210188 2.203556 -1.486887
H 3.467559 0.634065 0.386706
H 3.244111 -1.026069 1.011367
H -2.457445 0.853367 -1.619640
H -2.693652 -2.038618 1.606382
H -1.088270 4.745783 -0.206070
H 1.119156 4.458169 -1.345129
H 4.913678 -0.417996 -1.382185
H 0.542975 -0.475579 2.884691
H -0.616560 0.270360 4.045128
H 0.166897 1.295939 2.783907
H -4.493736 -0.140982 -2.670538
H -4.748896 -3.037815 0.560144
H 6.079526 -0.046444 0.873312
H 5.569113 -1.724533 1.206298
H -5.654550 -2.087803 -1.585251
H 6.865034 -2.539676 -0.799577
H 7.380714 -0.864877 -1.165080
H 7.932519 -1.653497 0.338631


