%chk=000005721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005721

0 1
 O    1.080800       1.095800      0.3627000    
 O    1.285500      -2.396400     -0.6127000    
 O    3.038600     -0.4972000      -1.853400    
 O    5.407000      -1.402900     -0.7781000    
 O   -2.492900      -2.489300       1.433500    
 O    1.946000       3.425200      0.9018000    
 O  -9.7400002E-02   4.437900      0.7302000    
 N  -0.8140000     -0.8824000       1.560500    
 N   -2.144600      0.5135000      -1.566100    
 N   -3.593000     -0.3441000      -3.153000    
 N   -3.957800     -0.9516000     -0.9867000    
 C   0.6558000     -0.1200000     -0.2764000    
 C  -0.7635000     -0.5403000      0.1536000    
 C    1.703700      -1.189200      1.9099999E-02
 C   -1.761800      0.5879000     -0.1500000    
 C    3.108200     -0.7928000     -0.4538000    
 C   -1.165200       1.938200      0.1146000    
 C   0.1425000       2.101300      0.3655000    
 C    4.162600      -1.882700     -0.2754000    
 C   -1.678400      -1.830500       2.074800    
 C   0.6147000       3.450400      0.6799000    
 C   -3.170900     -0.2223000      -1.850100    
 C   -1.505900      -2.008400       3.559500    
 H   0.6233000      6.3100003E-02  -1.359600    
 H   -1.055100      -1.440400     -0.4021000    
 H    1.760200      -1.383200       1.096400    
 H   -2.634200      0.5252000      0.5119000    
 H    3.453700      0.1176000      5.0299998E-02
 H  -0.2217000     -0.3591000       2.199200    
 H   -1.854500       2.778400      0.1242000    
 H    3.906300      -2.781100     -0.8459000    
 H    4.283700      -2.142900      0.7805000    
 H    1.303100      -2.249100      -1.573900    
 H    2.677900      0.4006000      -1.947700    
 H   -2.270100      -2.691300       3.940900    
 H  -0.5168000      -2.426000       3.767100    
 H   -1.609700      -1.045100       4.067100    
 H    6.058400      -2.113300     -0.6489000    
 H   -3.112000      0.1355000      -3.906200    
 H   -4.393600     -0.9153000      -3.400300    
 H   -4.745600      -1.487700      -1.335200    
 H   -3.776900      -1.019900      7.4000000E-03
 H    2.300900       4.314200       1.116400    


%chk=000005721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005721

0 1
O 1.031033 1.003186 0.579320
O 1.303978 -2.439162 -0.815144
O 2.886355 -0.787042 -2.143926
O 5.325430 -1.194518 -1.161590
O -2.812455 -2.043950 1.517259
O 2.006953 3.353480 1.253324
O -0.028972 4.451431 1.028367
N -0.802113 -0.902744 1.635683
N -2.218433 0.513667 -1.569342
N -3.730134 -0.227478 -3.188556
N -3.843652 -1.235778 -1.066342
C 0.592551 -0.155889 -0.258533
C -0.807030 -0.590479 0.193922
C 1.698803 -1.218734 -0.109498
C -1.819351 0.560813 -0.149300
C 3.041544 -0.706458 -0.677443
C -1.205799 1.906835 0.180158
C 0.099710 2.066025 0.550203
C 4.227087 -1.581735 -0.249843
C -1.822011 -1.623377 2.208318
C 0.639077 3.390595 0.951590
C -3.215971 -0.304636 -1.887666
C -1.712152 -1.911365 3.697764
H 0.519859 0.180327 -1.312419
H -1.093495 -1.502044 -0.357803
H 1.812160 -1.496161 0.954072
H -2.695386 0.425489 0.529679
H 3.207427 0.342919 -0.370160
H -0.069072 -0.484692 2.214439
H -1.839049 2.796983 0.126770
H 3.973816 -2.654292 -0.372636
H 4.495486 -1.373168 0.804887
H 1.579388 -2.280705 -1.763717
H 3.808014 -0.786934 -2.519029
H -2.635122 -1.579572 4.202452
H -1.631010 -3.002198 3.847810
H -0.844852 -1.422726 4.173377
H 6.098514 -1.799198 -1.049268
H -3.314516 0.494391 -3.774532
H -4.104092 -1.060005 -3.640132
H -4.758762 -1.598217 -1.326339
H -3.455214 -1.517255 -0.150504
H 2.288757 4.274674 1.505926


