%chk=000123395.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123395

0 1
 O    4.061700       1.353000      -1.587000    
 O   -4.064700       1.357200       1.581700    
 O    2.919700       2.282800      0.1382000    
 O   -2.917800       2.281900     -0.1431000    
 O    6.296000      -1.566700       1.124000    
 O   -6.292800      -1.569300      -1.127100    
 O    5.572100      -1.099100     -0.9819000    
 O   -5.574400      -1.096200      0.9794000    
 N    1.749700     -0.1541000      0.6376000    
 N   -1.753700     -0.1568000     -0.6295000    
 C   0.6773000     -0.1627000     -0.3448000    
 C  -0.6780000     -0.1661000      0.3559000    
 C    3.055700     -0.1489000     -2.1600001E-02
 C   -3.055000     -0.1493000      2.3100000E-02
 C    4.129700     -0.6688000      0.9422000    
 C   -4.126700     -0.6715000     -0.9420000    
 C    3.311100       1.286100     -0.4546000    
 C   -3.311100       1.286900      0.4515000    
 C    5.381900      -1.119000      0.2247000    
 C   -5.380900      -1.119500     -0.2267000    
 H   0.7549000      -1.052100     -0.9836000    
 H   0.7383000      0.7195000     -0.9939000    
 H  -0.7431000      0.7136000       1.008000    
 H  -0.7551000      -1.058600      0.9905000    
 H    3.021900     -0.7906000     -0.9115000    
 H   -3.025900     -0.7879000      0.9154000    
 H    1.659800     -0.9832000       1.224700    
 H   -1.660600     -0.9848000      -1.217600    
 H    3.757500      -1.544800       1.488100    
 H    4.407300      0.1082000       1.664300    
 H   -3.753800      -1.549200      -1.484700    
 H   -4.402300      0.1035000      -1.667000    
 H    4.233900       2.280400      -1.856400    
 H   -4.237300       2.285300       1.848100    
 H    7.121100      -1.868300      0.6874000    
 H   -7.119100      -1.869400     -0.6918000    


%chk=000123395-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123395

0 1
O 2.842267 1.991762 -0.968280
O -2.842569 1.994831 0.963121
O 4.118017 1.876750 0.969727
O -4.118565 1.874185 -0.974329
O 6.511727 -1.587009 0.994108
O -6.511677 -1.590448 -0.988404
O 5.898514 -0.344335 -0.869822
O -5.898112 -0.343577 0.872604
N 1.801030 -0.411668 0.539122
N -1.801243 -0.412845 -0.537973
C 0.663291 -0.357811 -0.390712
C -0.663430 -0.356011 0.391661
C 3.154246 -0.207132 -0.010200
C -3.154371 -0.206817 0.011206
C 4.194793 -0.991342 0.805702
C -4.194928 -0.993368 -0.802397
C 3.463265 1.299794 0.076100
C -3.463610 1.299817 -0.079198
C 5.581244 -0.909664 0.198680
C -5.581099 -0.911068 -0.194828
H 0.666575 -1.212800 -1.117040
H 0.730770 0.567931 -0.986913
H -0.730446 0.571945 0.984446
H -0.667139 -1.208296 1.121173
H 3.217227 -0.504813 -1.078517
H -3.217161 -0.501712 1.080340
H 1.739307 -1.141794 1.254581
H -1.739803 -1.146259 -1.250142
H 3.908923 -2.058982 0.867626
H 4.245266 -0.601057 1.838920
H -3.908592 -2.061021 -0.862007
H -4.246051 -0.605478 -1.836478
H 3.006504 2.968349 -0.862306
H -3.007084 2.971077 0.854461
H 7.414340 -1.513364 0.580135
H -7.414124 -1.516271 -0.574168


