%chk=000064869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064869

0 1
 O   0.2504000     -0.2673000       2.003100    
 O   -1.350900      -3.297900      0.7810000    
 O   -3.291300       3.473300      2.6000000E-03
 O   -1.799400       1.947400     -0.5122000    
 N    1.252300      0.4848000      1.3000000E-02
 N   -1.853500     -0.7800000      0.1524000    
 N   -2.399300     -0.4274000     -0.9121000    
 N   -2.982100       2.292000     -0.2802000    
 C    3.364100       1.701500     -0.2410000    
 C    2.174600       1.439600      0.4581000    
 C    4.259000       2.677900      0.2576000    
 C  -0.4706000      -1.218400     -7.3700003E-02
 C   0.3781000     -0.2916000      0.7817000    
 C    1.871900       2.130100       1.632100    
 C    3.685100       1.016100      -1.424100    
 C    3.938000       3.363600       1.440500    
 C    5.448500       2.940100     -0.4413000    
 C  -0.3884000      -2.684100      0.3244000    
 C    2.751800       3.090400       2.122200    
 C    4.871400       1.289300      -2.105500    
 C   0.9007000      -3.410100      0.1414000    
 C    5.751600       2.249300      -1.615100    
 C   -3.717400     -1.8300001E-02 -0.6490000    
 C   -4.008400       1.308500     -0.3395000    
 C   -6.348000      0.7417000     -0.1336000    
 C    1.738000      -3.022400     -0.8808000    
 C    1.206700      -4.440900       1.001400    
 C   -5.325500       1.689000     -8.1299998E-02
 C   -4.736800     -0.9665000     -0.7020000    
 C   -6.053500     -0.5861000     -0.4439000    
 C    2.944200      -3.701400      -1.052200    
 C    2.413100      -5.119800      0.8301000    
 C   -7.756200       1.147700      0.1424000    
 C    3.281900      -4.750000     -0.1968000    
 H  -0.2250000      -1.126900      -1.137400    
 H    1.328500      0.2163000     -0.9623000    
 H   0.9433000       1.983400       2.174100    
 H    3.047300      0.2485000      -1.851400    
 H    4.610100       4.119900       1.840800    
 H    6.151200       3.686400     -7.6399997E-02
 H    2.511500       3.635100       3.030700    
 H    5.109800      0.7502000      -3.017900    
 H    6.675300       2.461000      -2.145700    
 H    1.503800      -2.227100      -1.578000    
 H   0.5428000      -4.735600       1.808300    
 H   -5.584500       2.717100      0.1613000    
 H   -4.517900      -2.003400     -0.9438000    
 H   -6.841100      -1.333700     -0.4898000    
 H    3.619200      -3.416200      -1.854000    
 H    2.677000      -5.935600       1.496900    
 H   -7.798100       1.892000      0.9450000    
 H   -8.362800      0.2945000      0.4648000    
 H   -8.207900       1.573700     -0.7589000    
 H    4.221000      -5.279000     -0.3305000    


%chk=000064869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064869

0 1
O 1.711234 -1.465565 2.003574
O -1.349599 -3.429298 1.360854
O -2.739754 2.406206 -3.389128
O -1.112011 1.552013 -2.037430
N 1.467873 0.235380 0.384953
N -1.252180 -0.890414 0.480908
N -1.785369 -0.528926 -0.641495
N -2.358578 1.745035 -2.346679
C 2.656789 2.356649 -0.046107
C 2.491334 1.157851 0.758058
C 3.705740 3.287954 0.324710
C -0.022546 -1.707761 0.255231
C 1.149734 -0.976853 0.984575
C 3.327439 0.919901 1.862170
C 1.840652 2.674533 -1.183461
C 4.540859 3.013657 1.456882
C 3.893875 4.478680 -0.452198
C -0.250745 -3.137989 0.813855
C 4.348458 1.853323 2.204709
C 2.048853 3.844746 -1.919303
C 0.827309 -4.155007 0.615404
C 3.085793 4.757321 -1.554866
C -3.039548 0.145911 -0.542608
C -3.383575 1.175924 -1.460825
C -5.689719 1.241404 -0.639475
C 1.986842 -3.913780 -0.169629
C 0.654271 -5.428557 1.223355
C -4.688336 1.710107 -1.518676
C -4.046314 -0.319818 0.343545
C -5.339873 0.227514 0.298484
C 2.951339 -4.927247 -0.343530
C 1.621428 -6.437391 1.055159
C -7.099162 1.797124 -0.688711
C 2.773040 -6.189629 0.269127
H 0.192040 -1.774551 -0.834223
H 0.875157 0.512976 -0.403353
H 3.186871 0.014992 2.454324
H 1.022432 2.025715 -1.509990
H 5.327768 3.729192 1.721473
H 4.691849 5.171125 -0.158647
H 4.983647 1.641690 3.071364
H 1.406260 4.060438 -2.779346
H 3.239213 5.670345 -2.140071
H 2.151583 -2.941843 -0.646944
H -0.245885 -5.596922 1.823375
H -4.895245 2.501666 -2.244655
H -3.783559 -1.120010 1.043286
H -6.100294 -0.136077 0.999454
H 3.842280 -4.734059 -0.950363
H 1.483361 -7.413200 1.533087
H -7.162020 2.694843 -1.325707
H -7.459274 2.067370 0.320415
H -7.804726 1.047969 -1.095659
H 3.526589 -6.973959 0.136247


