%chk=000105372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105372

0 1
 O   -1.806500      -2.177700     -0.1980000    
 O    1.798300      -2.194000      0.1975000    
 O   -3.572700      -1.124700      -1.195400    
 O    3.556900      -1.127700       1.194500    
 O   -3.441900       1.139500       1.584300    
 O    3.449100       1.136000      -1.583500    
 O   -3.912200       3.039900      0.4374000    
 O    3.935000       3.028400     -0.4300000    
 N   -1.860700      0.1266000     -0.2407000    
 N    1.849400      0.1267000      0.2322000    
 C  -0.5910000      0.1376000      0.4716000    
 C   0.5976000      0.1362000     -0.4750000    
 C   -2.425400       1.433100     -0.5638000    
 C    2.429500       1.433800      0.5625000    
 C   -2.501300      -1.065500     -0.5946000    
 C    2.487000      -1.076500      0.5901000    
 C   -3.331700       1.964100      0.5169000    
 C    3.344100       1.958700     -0.5141000    
 C   -2.398100      -3.441300     -0.5226000    
 C    2.394600      -3.453100      0.5305000    
 H  -0.5376000     -0.7316000       1.137300    
 H  -0.5638000       1.015400       1.128900    
 H   0.5396000     -0.7334000      -1.139800    
 H   0.5676000       1.012400      -1.134400    
 H   -1.615300       2.146900     -0.7417000    
 H   -3.027600       1.334600      -1.473000    
 H    1.623700       2.152800      0.7381000    
 H    3.026300       1.325800       1.474000    
 H   -1.737400      -4.229600     -0.1521000    
 H   -2.495800      -3.545800      -1.607200    
 H   -3.371800      -3.539700     -3.3399999E-02
 H    1.738600      -4.246300      0.1622000    
 H    2.489400      -3.551500       1.616000    
 H    3.370200      -3.549600      4.4799998E-02
 H   -4.035500       1.507600       2.273100    
 H    4.048200       1.500000      -2.269600    


%chk=000105372-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105372

0 1
O -1.877591 -2.190590 -0.526402
O 1.873980 -2.195458 0.529393
O -3.662794 -0.945254 -1.411916
O 3.662275 -0.954244 1.414467
O -3.304565 1.088245 1.820102
O 3.310692 1.078982 -1.820115
O -3.510421 3.203698 0.878387
O 3.514506 3.196146 -0.881775
N -1.880598 0.094201 -0.284489
N 1.883700 0.088983 0.284815
C -0.616797 -0.026606 0.469934
C 0.619564 -0.029037 -0.469501
C -2.485585 1.410843 -0.457907
C 2.491989 1.404195 0.457521
C -2.569006 -0.998801 -0.787943
C 2.568785 -1.005404 0.789750
C -3.141047 2.014111 0.788225
C 3.146232 2.006354 -0.789740
C -2.552153 -3.410238 -1.019970
C 2.544756 -3.416460 1.024767
H -0.624763 -0.957451 1.057015
H -0.556068 0.822459 1.175885
H 0.624819 -0.960695 -1.055316
H 0.561292 0.819310 -1.176511
H -1.746753 2.149238 -0.820894
H -3.275277 1.328967 -1.227942
H 1.755803 2.144289 0.822402
H 3.283138 1.319862 1.225848
H -1.886292 -4.233124 -0.723452
H -2.669067 -3.369358 -2.115915
H -3.546251 -3.515599 -0.554275
H 1.876623 -4.237756 0.728955
H 2.661295 -3.374571 2.120712
H 3.538751 -3.525287 0.559647
H -3.773502 1.527091 2.581410
H 3.779132 1.517059 -2.582171


