%chk=000057741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057741

0 1
 O   9.9999998E-03  0.2897000      0.5229000    
 O   -3.833700      -1.136300      0.5475000    
 O   -1.371200      -1.088700       1.744300    
 N    4.839800      6.7000002E-02  0.1747000    
 N   -5.380100       3.143300      -1.003800    
 C    6.030400     -0.2012000      0.9936000    
 C    5.029400     -0.3982000      -1.206400    
 C    7.266000      0.4885000      0.4132000    
 C    6.232200      0.2853000      -1.858900    
 C    7.499400      7.9999998E-02  -1.036900    
 C    3.659000     -0.5598000      0.7683000    
 C    2.394800      0.1738000      0.3325000    
 C    1.148700     -0.4433000      0.9530000    
 C   -1.192800     -0.1411000      0.9949000    
 C   -2.296800      0.7036000      0.4732000    
 C   -3.570600      0.1721000      0.2712000    
 C   -2.047000       2.045200      0.1844000    
 C   -4.594500      0.9822000     -0.2195000    
 C   -4.283900      -1.948700     -0.5345000    
 C   -4.344700       2.323700     -0.5085000    
 C   -3.071000       2.855200     -0.3064000    
 C   -3.845200      -3.383900     -0.2875000    
 C   -4.278200      -4.308200      -1.411200    
 H    6.212900      -1.281000       1.074100    
 H    5.879400      0.1815000       2.010400    
 H    5.170800      -1.486900      -1.236300    
 H    4.151300     -0.1701000      -1.819900    
 H    7.140000       1.577200      0.4703000    
 H    8.147100      0.2368000       1.014300    
 H    6.380100     -0.1110000      -2.869900    
 H    6.033100       1.359600      -1.962100    
 H    8.323500      0.6619000      -1.463900    
 H    7.794900     -0.9756000      -1.076900    
 H    3.601000      -1.629600      0.5295000    
 H    3.707400     -0.4896000       1.863300    
 H    2.450900       1.233200      0.6156000    
 H    2.276200      0.1638000     -0.7571000    
 H    1.050600      -1.488500      0.6366000    
 H    1.214600     -0.4041000       2.046700    
 H   -1.069000       2.491500      0.3437000    
 H   -5.591000      0.5732000     -0.3695000    
 H   -5.377200      -1.891400     -0.5884000    
 H   -3.866000      -1.594900      -1.486000    
 H   -4.257700      -3.736100      0.6655000    
 H   -2.754800      -3.420600     -0.1757000    
 H   -2.864800       3.900000     -0.5249000    
 H   -3.951400      -5.332600      -1.206900    
 H   -3.842200      -3.996900      -2.365700    
 H   -5.367800      -4.313900      -1.516500    
 H   -6.303400       2.758300      -1.152600    
 H   -5.198900       4.115500      -1.215200    


%chk=000057741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057741

0 1
O 0.337775 -0.048936 -0.185096
O -3.658371 -1.577678 -0.186669
O -0.953445 -1.960550 0.141818
N 5.258846 0.114534 0.308180
N -5.158620 2.950752 -1.292475
C 6.417104 -0.605671 0.899982
C 5.611359 0.696811 -1.012902
C 7.626408 0.333039 1.082625
C 6.801040 1.672044 -0.897909
C 8.026238 0.975662 -0.264803
C 4.054995 -0.752038 0.251210
C 2.749339 0.033589 0.000566
C 1.527848 -0.882187 0.112663
C -0.908006 -0.735721 -0.131524
C -2.026006 0.187679 -0.429977
C -3.399310 -0.236546 -0.454039
C -1.763481 1.559848 -0.705764
C -4.431188 0.687254 -0.741202
C -5.055764 -2.051429 -0.196082
C -4.135078 2.050777 -1.011774
C -2.776134 2.482178 -0.991402
C -5.012108 -3.547144 0.126317
C -6.427182 -4.163980 0.156566
H 6.724853 -1.475398 0.257548
H 6.104336 -1.015883 1.878873
H 5.870112 -0.113982 -1.748036
H 4.732620 1.232578 -1.412905
H 7.353727 1.126528 1.805097
H 8.472923 -0.237224 1.511767
H 7.049701 2.064704 -1.902952
H 6.497084 2.530503 -0.268058
H 8.853950 1.696283 -0.123084
H 8.396916 0.186584 -0.952136
H 4.162414 -1.555320 -0.526483
H 3.974624 -1.267269 1.229205
H 2.676520 0.851228 0.740353
H 2.749696 0.494501 -1.004337
H 1.567684 -1.722437 -0.606972
H 1.420057 -1.312554 1.126590
H -0.720577 1.884877 -0.686933
H -5.474993 0.359833 -0.758622
H -5.644427 -1.496849 0.565454
H -5.506131 -1.872683 -1.195761
H -4.508059 -3.684340 1.100301
H -4.384194 -4.054071 -0.628841
H -2.529504 3.529848 -1.197311
H -6.376330 -5.242835 0.386231
H -6.938572 -4.052609 -0.818560
H -7.060698 -3.686684 0.928193
H -6.130089 2.654327 -1.308146
H -4.950303 3.925956 -1.486182


