%chk=000028438.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028438

0 1
 O    3.533000     -0.2098000      -1.111900    
 O    3.136400       2.424400      0.1567000    
 O  -0.3776000      -3.336000      -1.400600    
 O   -1.186000       1.770800     -4.1000001E-02
 O    3.062000       4.288500      -1.192200    
 N    4.481900      -1.970200       1.024700    
 N    1.803500      -1.694100     -0.4161000    
 N   -3.329600      0.4334000      -1.005700    
 N    4.759100       3.990400      0.3302000    
 C    3.403600     -0.9956000       1.156300    
 C    3.149700      -2.459000       1.333600    
 C    2.642000     -0.5270000     -4.8700001E-02
 C    2.221900      -2.926300      0.2509000    
 C    1.588800      0.6055000      0.2169000    
 C   0.5051000      -1.291400     -0.6405000    
 C   0.3162000     -1.0400000E-02 -0.3267000    
 C    5.318600      -1.973100       2.212900    
 C    1.943500       1.939900     -0.4324000    
 C  -0.5758000      -2.160200      -1.114400    
 C   -1.008600      0.6111000     -0.4010000    
 C   -1.928600      -1.526500      -1.249200    
 C   -2.137600     -0.2331000     -0.9215000    
 C   -2.991800      -2.457000      -1.770200    
 C    3.602600       3.625300     -0.3136000    
 C   -4.323100      0.5563000     -3.0600000E-02
 C   -5.490900       1.285000     -0.2937000    
 C   -4.165000     -4.7499999E-02   1.224300    
 C   -6.482000       1.408000      0.6800000    
 C   -5.156400      7.5499997E-02   2.197900    
 C   -6.314900      0.8032000       1.925700    
 H    3.398000     -0.3279000       2.004900    
 H    2.930200      -2.853900       2.315100    
 H    2.732900      -3.588000     -0.4559000    
 H    1.371500      -3.459800      0.6885000    
 H    1.463800      0.7491000       1.298600    
 H    6.108400      -1.221600       2.105800    
 H    5.808700      -2.947600       2.312900    
 H    4.796700      -1.769200       3.157100    
 H    3.029200     -0.2965000      -1.938800    
 H    1.148800       2.671800     -0.2511000    
 H    2.068100       1.838800      -1.517600    
 H   -2.705900      -2.852000      -2.750900    
 H   -3.961000      -1.963700      -1.889700    
 H   -3.132600      -3.297000      -1.081900    
 H   -3.367200       1.135100      -1.739200    
 H    5.168800       3.406600       1.051700    
 H    5.239600       4.854700      0.1041000    
 H   -5.635800       1.761400      -1.260400    
 H   -3.275900     -0.6212000       1.472400    
 H   -7.384100       1.974500      0.4682000    
 H   -5.026500     -0.3951000       3.168100    
 H   -7.086700      0.8990000       2.683800    


%chk=000028438-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028438

0 1
O 3.925190 -0.031468 -0.746652
O 3.284695 2.962526 -0.128200
O -0.441593 -2.959334 -1.259251
O -1.002324 2.221893 0.562436
O 4.264857 2.292151 -2.164771
N 4.444734 -1.975990 1.179943
N 1.873047 -1.361202 -0.468037
N -3.183857 0.883478 0.063389
N 5.307167 3.816858 -0.722515
C 3.325798 -0.985272 1.380242
C 3.024836 -2.478091 1.270182
C 2.810863 -0.270576 0.106985
C 2.373040 -2.720522 -0.105609
C 1.834715 0.952118 0.372546
C 0.573962 -0.938756 -0.405764
C 0.461508 0.378613 0.043188
C 5.307221 -2.204952 2.368137
C 2.045139 2.220145 -0.482694
C -0.618944 -1.771293 -0.803534
C -0.808977 1.004867 0.164089
C -1.940503 -1.153921 -0.679412
C -2.039169 0.146381 -0.164669
C -3.105333 -1.947620 -1.233042
C 4.296434 2.971921 -1.097808
C -4.516328 0.473285 0.350652
C -5.585154 1.324615 -0.037867
C -4.792659 -0.700364 1.101786
C -6.913218 0.991519 0.299564
C -6.125543 -1.028593 1.426396
C -7.192514 -0.190696 1.025482
H 3.251769 -0.455580 2.337513
H 2.705246 -3.057498 2.145104
H 3.134949 -3.039455 -0.834845
H 1.535360 -3.432128 -0.103053
H 1.896431 1.255933 1.434927
H 6.101264 -1.438663 2.369176
H 5.778736 -3.198063 2.268276
H 4.773698 -2.164036 3.347486
H 3.747392 0.614127 -1.493225
H 1.221724 2.914837 -0.252272
H 2.051733 1.996772 -1.564496
H -2.718779 -2.679250 -1.961510
H -3.842143 -1.292072 -1.728078
H -3.651016 -2.521786 -0.460175
H -2.940052 1.872448 0.267547
H 5.242593 4.341687 0.146495
H 6.132452 3.882614 -1.311759
H -5.368973 2.231439 -0.614094
H -3.965878 -1.322956 1.456592
H -7.730798 1.651643 -0.010246
H -6.328902 -1.934192 2.008630
H -8.224898 -0.449943 1.282614


