%chk=000058972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058972

0 1
 O    2.695200     -0.9561000       1.039500    
 N   -3.237100       1.171800      0.4546000    
 N    1.498500      0.9775000      0.8352000    
 N    3.333100      0.4797000     -0.6164000    
 C   -1.190400       1.428000     -0.3655000    
 C   6.1600000E-02   2.050300     -0.8415000    
 C   -1.481400      3.5799999E-02 -0.3224000    
 C    1.126200       2.245800      0.2524000    
 C   -2.771300     -9.7599998E-02  0.1961000    
 C   -2.288900       2.100500      0.1186000    
 C  -0.7689000      -1.127400     -0.6759000    
 C   -3.386700      -1.340900      0.3795000    
 C    2.528300      0.2189000      0.3667000    
 C    3.640200      -1.684500      0.2720000    
 C    4.274600     -0.6436000     -0.6164000    
 C   -1.372100      -2.377800     -0.4981000    
 C   -2.660900      -2.480600      2.1700000E-02
 H  -0.1638000       3.031000      -1.280000    
 H   0.4855000       1.449900      -1.656700    
 H    1.998900       2.765000     -0.1601000    
 H   0.7238000       2.887200       1.045400    
 H   -2.482200       3.155400      0.2553000    
 H   -4.147500       1.386300      0.8374000    
 H   0.9411000      0.6375000       1.613500    
 H   0.2329000      -1.068700      -1.090700    
 H   -4.390000      -1.422000      0.7839000    
 H    3.110500      -2.450800     -0.3036000    
 H    4.369200      -2.171400      0.9260000    
 H    5.236500     -0.3099000     -0.2119000    
 H    4.444300      -1.026500      -1.627200    
 H  -0.8278000      -3.278200     -0.7708000    
 H   -3.110100      -3.462000      0.1511000    


%chk=000058972-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058972

0 1
O 2.843720 -1.228369 0.766654
N -3.460152 1.298715 0.237055
N 1.546838 0.720606 0.869029
N 3.533776 0.632505 -0.496945
C -1.257707 1.436409 -0.386238
C 0.088204 2.013386 -0.755638
C -1.623543 0.030702 -0.257566
C 1.110992 2.049539 0.420924
C -3.010327 -0.022120 0.135374
C -2.405761 2.169684 -0.079806
C -0.922761 -1.192928 -0.448106
C -3.696313 -1.239358 0.344945
C 2.655884 0.120762 0.332457
C 4.131686 -1.655555 0.134975
C 4.561038 -0.424676 -0.743728
C -1.601976 -2.409146 -0.242818
C -2.973054 -2.433497 0.151938
H -0.039767 3.053781 -1.113403
H 0.547648 1.446267 -1.587711
H 2.015501 2.593706 0.098653
H 0.664805 2.583541 1.280292
H -2.549611 3.249153 -0.074066
H -4.405465 1.582486 0.483258
H 0.911259 0.133729 1.409401
H 0.129249 -1.193665 -0.752835
H -4.750228 -1.261583 0.644942
H 3.927748 -2.567975 -0.449225
H 4.841845 -1.878892 0.949006
H 5.562412 -0.052706 -0.459475
H 4.587736 -0.678403 -1.819812
H -1.070612 -3.356503 -0.385781
H -3.471766 -3.396996 0.305949


