%chk=000095525.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095525

0 1
 O    4.092000       2.591400     -0.2835000    
 O    2.247400       2.420600      -1.594400    
 O   0.2381000      0.7325000       2.381100    
 O    4.274600      -2.982900      -1.494800    
 O    4.706600      -2.553000      0.6906000    
 O   -5.966800      -1.227300      0.1177000    
 O   -5.571400     -0.1616000      -1.760300    
 N   0.9730000      0.8625000      0.1851000    
 N   -5.208000     -0.5615000     -0.6277000    
 C    2.351500       1.156600      0.4847000    
 C    3.203300     -0.1072000      0.6551000    
 C    3.318500      -1.007200     -0.5819000    
 C    2.862400       2.098400     -0.5861000    
 C   1.7800000E-02  0.6723000       1.174200    
 C   -1.353400      0.3502000      0.7019000    
 C    4.158500      -2.246100     -0.3588000    
 C   -2.185900     -0.3805000       1.523800    
 C   -1.749900      0.7907000     -0.5438000    
 C   -3.473000     -0.6843000       1.080000    
 C   -3.036900      0.4869000     -0.9874000    
 C   -3.898500     -0.2507000     -0.1756000    
 H    2.367700       1.718200       1.427700    
 H    4.215100      0.1833000      0.9667000    
 H    2.793500     -0.7026000       1.481900    
 H    3.773300     -0.4430000      -1.403700    
 H    2.321000      -1.337800     -0.8917000    
 H   0.7394000      0.7104000     -0.7904000    
 H   -1.867900     -0.7302000       2.501400    
 H   -1.123100       1.395900      -1.190400    
 H   -4.116400      -1.262100       1.738700    
 H   -3.337100      0.8474000      -1.968000    
 H    4.415100       3.213700     -0.9696000    
 H    4.833200      -3.777700      -1.359200    


%chk=000095525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095525

0 1
O 4.223236 2.602996 -0.031033
O 2.369875 2.580085 -1.431226
O 0.439218 0.055698 2.277000
O 4.249694 -2.819395 -1.730994
O 4.772602 -2.556451 0.517036
O -6.265502 -0.711742 0.389331
O -5.700012 -0.392840 -1.797625
N 0.999471 0.906352 0.195289
N -5.407528 -0.465325 -0.542320
C 2.386181 1.174763 0.600556
C 3.265816 -0.108526 0.695946
C 3.369687 -0.868598 -0.637179
C 2.953882 2.180509 -0.396125
C 0.096460 0.364364 1.090381
C -1.318333 0.161618 0.600713
C 4.195364 -2.134279 -0.507286
C -2.300243 -0.124989 1.584291
C -1.696869 0.224614 -0.766996
C -3.643253 -0.329741 1.221651
C -3.036476 0.019530 -1.148407
C -3.991133 -0.250078 -0.144567
H 2.385995 1.634508 1.608811
H 4.268633 0.184056 1.051651
H 2.820944 -0.753614 1.471931
H 3.830757 -0.252021 -1.434071
H 2.368733 -1.151856 -1.014670
H 0.710220 1.300870 -0.705232
H -1.977130 -0.186744 2.627915
H -0.956637 0.407240 -1.553444
H -4.416044 -0.547670 1.963046
H -3.351919 0.059182 -2.194019
H 4.571640 3.257343 -0.695565
H 4.796370 -3.644559 -1.621488


