%chk=000148957.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148957

0 1
 O    5.292300     -0.3586000     -0.4919000    
 O    5.290000       1.270200       1.116500    
 O   -2.699600      -2.665800      0.6815000    
 O   -5.914200       1.654600     -0.7519000    
 O   -6.046400     -0.4658000     -0.1994000    
 N   0.4013000      0.3827000      0.1380000    
 N    3.283600      0.3926000      0.3387000    
 N   -1.509000      -1.964300      0.5985000    
 N   -3.789600      -1.870200      0.3728000    
 N   -5.367700      0.5716000     -0.4165000    
 C    1.129300       1.592600      0.5327000    
 C    1.167300     -0.8464000     -8.6900003E-02
 C    2.456000       1.232900       1.197700    
 C    2.583600     -0.5240000     -0.5613000    
 C  -0.9860000      0.3973000      1.2800000E-02
 C   -1.842000     -0.7192000      0.2362000    
 C    4.676300      0.4971000      0.3833000    
 C   -1.707700       1.564800     -0.3628000    
 C   -3.291600     -0.6593000      9.2699997E-02
 C   -3.119300       1.623000     -0.5026000    
 C   -3.962900      0.5192000     -0.2815000    
 C    6.723400     -0.3116000     -0.5160000    
 C    7.232700      -1.313400      -1.530200    
 H   0.5417000       2.185700       1.244000    
 H    1.312100       2.209000     -0.3560000    
 H   0.6961000      -1.469500     -0.8562000    
 H    1.211900      -1.421500      0.8457000    
 H    3.001600       2.142300       1.471200    
 H    2.280200      0.6666000       2.120500    
 H    3.159300      -1.449200     -0.6707000    
 H    2.554100     -3.6699999E-02  -1.543600    
 H   -1.160100       2.483900     -0.5732000    
 H   -3.544900       2.581700     -0.7988000    
 H    7.050600      0.6962000     -0.7948000    
 H    7.113200     -0.5601000      0.4774000    
 H    8.325300      -1.304100      -1.574700    
 H    6.897400      -2.324100      -1.275100    
 H    6.836100      -1.089000      -2.525900    


%chk=000148957-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148957

0 1
O 5.034725 -0.353401 -0.599252
O 5.174931 1.751625 0.454278
O -2.489206 -2.877482 -0.200200
O -5.489117 1.875813 -1.366678
O -5.720745 -0.403827 -1.397516
N 0.415726 0.324561 0.713862
N 3.268771 0.389301 0.647162
N -1.332324 -2.130550 0.178854
N -3.589707 -2.014146 -0.608980
N -5.034634 0.672002 -1.181608
C 1.138891 1.608583 0.942265
C 1.197150 -0.909767 0.984774
C 2.552360 1.355633 1.493329
C 2.565646 -0.861805 0.279729
C -0.886281 0.363800 0.263726
C -1.690719 -0.830299 0.016974
C 4.541065 0.692484 0.196558
C -1.552230 1.595614 0.004997
C -3.074025 -0.757416 -0.463835
C -2.887518 1.662668 -0.458752
C -3.668472 0.524691 -0.702074
C 6.411326 -0.139383 -1.139129
C 6.750042 -1.372322 -1.970253
H 0.573663 2.235576 1.660809
H 1.207495 2.162859 -0.014950
H 0.635465 -1.789769 0.640558
H 1.335051 -1.016934 2.078893
H 3.126680 2.296569 1.492161
H 2.502259 0.999978 2.541600
H 3.160132 -1.743810 0.581769
H 2.436318 -0.915522 -0.817223
H -1.027669 2.539347 0.159634
H -3.351940 2.636032 -0.644479
H 6.410567 0.788320 -1.738924
H 7.101660 0.000508 -0.288064
H 7.764905 -1.266728 -2.394818
H 6.726882 -2.285701 -1.351530
H 6.037280 -1.495900 -2.803469


