%chk=000045251.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045251

0 1
 I    7.196900       2.269000     -0.4043000    
 O   0.9474000     -0.6831000     -6.0999999E-03
 O    2.138300      -2.565600      0.5748000    
 N   -3.858300     -0.2591000     -0.4577000    
 C   -3.821100      0.9935000      0.3212000    
 C   -4.926100       1.945200     -0.1761000    
 C   -5.157700     -0.9385000     -0.4073000    
 C   -6.307400       1.297500     -0.1573000    
 C   -6.280700     -2.9100001E-02 -0.9061000    
 C   -2.773000      -1.176200     -0.1214000    
 C   -3.891100      0.8187000       1.846300    
 C   -1.428500     -0.4618000     -0.2137000    
 C  -0.2738000      -1.399900      0.1108000    
 C    2.083000      -1.388300      0.2545000    
 C    3.284100     -0.5294000      9.9699996E-02
 C    4.472200      -1.109200     -0.2955000    
 C    3.175100      0.8222000      0.3560000    
 C    5.600700     -0.3021000     -0.4407000    
 C    4.303600       1.629100      0.2106000    
 C    5.516400       1.067000     -0.1877000    
 H   -2.902200       1.545200      9.5399998E-02
 H   -4.696300       2.254200      -1.204900    
 H   -4.942200       2.861700      0.4259000    
 H   -5.385100      -1.289600      0.6067000    
 H   -5.136800      -1.826100      -1.051900    
 H   -7.040500       1.969800     -0.6168000    
 H   -6.632000       1.133000      0.8766000    
 H   -7.245600     -0.5366000     -0.7946000    
 H   -6.144700      0.1630000      -1.978200    
 H   -2.904800      -1.610000      0.8776000    
 H   -2.771900      -2.011800     -0.8327000    
 H   -3.030300      0.2651000       2.233100    
 H   -3.887000       1.796900       2.340300    
 H   -4.797500      0.2962000       2.166300    
 H   -1.281600     -3.5300002E-02  -1.214400    
 H   -1.337300      0.3689000      0.4934000    
 H  -0.2684000      -2.243700     -0.5892000    
 H  -0.3764000      -1.782900       1.133100    
 H    4.549300      -2.173200     -0.4987000    
 H    2.246300       1.281800      0.6801000    
 H    6.535700     -0.7604000     -0.7529000    
 H    4.216800       2.693200      0.4156000    


%chk=000045251-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045251

0 1
I 7.629079 2.105374 -0.168167
O 1.017814 -0.595134 -0.096338
O 2.167940 -2.619110 0.033309
N -3.914937 -0.172566 -0.319543
C -4.018989 1.066815 0.514626
C -5.146533 1.965572 -0.057974
C -5.185807 -0.936480 -0.412645
C -6.498633 1.223663 -0.161577
C -6.320464 -0.067707 -0.991153
C -2.767400 -1.053578 -0.003264
C -4.193288 0.811041 2.041881
C -1.399976 -0.344748 -0.129029
C -0.262146 -1.363370 -0.071673
C 2.182669 -1.364393 -0.038603
C 3.415103 -0.524494 -0.071507
C 4.669990 -1.182041 -0.011966
C 3.367533 0.890104 -0.159756
C 5.868472 -0.440889 -0.039162
C 4.561136 1.642684 -0.187904
C 5.802530 0.968739 -0.127220
H -3.068844 1.618503 0.378623
H -4.842599 2.294698 -1.070797
H -5.244198 2.870797 0.572080
H -5.505672 -1.350091 0.578666
H -5.008128 -1.805312 -1.075349
H -7.257493 1.881088 -0.626690
H -6.876579 0.969097 0.849302
H -7.258978 -0.654818 -1.013569
H -6.065627 0.199257 -2.035239
H -2.844748 -1.517899 1.014678
H -2.799472 -1.892364 -0.728324
H -3.358928 0.210556 2.449351
H -4.205924 1.773831 2.585185
H -5.134618 0.281817 2.273003
H -1.365647 0.205527 -1.087138
H -1.258056 0.389512 0.685533
H -0.270143 -2.053536 -0.935520
H -0.285253 -1.970831 0.852801
H 4.690369 -2.274638 0.055029
H 2.398175 1.393637 -0.206358
H 6.833372 -0.952508 0.007930
H 4.522398 2.733494 -0.255735


