%chk=000085774.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085774

0 1
 O   -2.906500       1.741700     -0.1720000    
 O   -4.260700     -0.6295000      0.3446000    
 O    2.489400       1.978500      -1.157300    
 N    2.105400      0.5746000      0.6584000    
 N    1.812400      -2.666000       1.655800    
 C    2.193600     -0.6887000     -5.0000001E-02
 C    1.163400     -0.7454000      -1.207800    
 C  -0.2919000     -0.7109000     -0.7915000    
 C    3.608200     -0.8135000     -0.6376000    
 C  -0.9308000      0.5106000     -0.6734000    
 C  -0.9495000      -1.901700     -0.5382000    
 C    1.978900      -1.795300      0.9065000    
 C   -2.271400      0.5424000     -0.2893000    
 C    2.262300       1.797500      3.6200002E-02
 C   -2.289900      -1.869800     -0.1542000    
 C   -2.951000     -0.6479000     -2.9800000E-02
 C    2.097200       2.945000      0.9962000    
 C   -2.858900       2.378500       1.103400    
 H    1.333200      4.3900002E-02  -1.949900    
 H    1.321600      -1.675200      -1.775700    
 H    3.760900      -1.802100      -1.088300    
 H    4.373800     -0.6915000      0.1390000    
 H    3.813600     -7.3899999E-02  -1.417700    
 H    1.911700      0.5588000       1.656500    
 H  -0.4128000       1.440600     -0.8862000    
 H  -0.4479000      -2.859700     -0.6380000    
 H   -2.807700      -2.804600      4.3499999E-02
 H    2.383600       3.879500      0.5060000    
 H    1.052000       3.010500       1.311100    
 H    2.734600       2.799200       1.873000    
 H   -4.563700      -1.543500      0.4818000    
 H   -1.823800       2.601100       1.381800    
 H   -3.326300       1.748600       1.866800    
 H   -3.413300       3.318600       1.037900    


%chk=000085774-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085774

0 1
O -2.684350 1.960637 -0.268813
O -4.173665 -0.353238 0.663960
O 2.523396 1.998884 -1.074601
N 2.252344 0.443253 0.643403
N 2.169639 -2.905833 1.400937
C 2.374971 -0.774911 -0.209530
C 1.237584 -0.840524 -1.307934
C -0.177986 -0.733673 -0.770354
C 3.771817 -0.831473 -0.897912
C -0.823874 0.524766 -0.705642
C -0.883675 -1.877141 -0.318464
C 2.251330 -1.944903 0.698980
C -2.137951 0.668793 -0.205977
C 2.316831 1.738839 0.151338
C -2.197966 -1.753279 0.177112
C -2.839030 -0.494599 0.226286
C 2.105695 2.837213 1.188981
C -3.479412 2.452131 0.875202
H 1.453318 -0.012869 -2.004698
H 1.379339 -1.792456 -1.852256
H 3.856418 -1.745553 -1.510278
H 4.576005 -0.833377 -0.143494
H 3.882759 0.053793 -1.543482
H 2.014929 0.305872 1.627167
H -0.320280 1.429921 -1.062667
H -0.412031 -2.865083 -0.353778
H -2.741862 -2.647362 0.511179
H 2.906727 3.587390 1.082231
H 1.147947 3.346887 0.981191
H 2.092781 2.469413 2.229416
H -4.556134 -1.239022 0.882734
H -2.879043 2.421627 1.805577
H -4.398725 1.860643 1.006799
H -3.718148 3.495633 0.618987


