%chk=000049361.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049361

0 1
 O   -1.898700       1.618400      -1.761400    
 O   -2.244700      -1.815100       1.423300    
 O   -5.213100       1.684000       1.411400    
 N   -3.613200       1.597700     -0.2373000    
 N   -3.785600     -0.1171000       1.353900    
 C   -2.323000     -0.4598000     -0.5860000    
 C  -0.8426000     -0.8073000     -0.7998000    
 C   -3.184200      -1.279700      -1.563200    
 C   5.3100001E-02  6.5700002E-02  7.0299998E-02
 C   -2.553700       1.012000     -0.9140000    
 C   -2.742400     -0.8620000      0.8245000    
 C    1.529600     -0.2616000     -0.1737000    
 C   -3.046900      -2.761200      -1.293300    
 C    2.481500      0.6057000      0.6578000    
 C   -4.280600       1.087900      0.8700000    
 C    3.940900      0.3500000      0.3769000    
 C    4.617400     -0.6118000       1.112000    
 C    4.582300       1.080400     -0.6121000    
 C    5.967200     -0.8486000      0.8523000    
 C    5.932200      0.8434000     -0.8718000    
 C    6.624500     -0.1211000     -0.1397000    
 H  -0.6229000      -1.851400     -0.5522000    
 H  -0.5675000     -0.6697000      -1.854000    
 H   -2.893500      -1.067900      -2.600200    
 H   -4.242800      -1.001600      -1.479600    
 H  -0.1684000     -8.8600002E-02   1.132500    
 H  -9.4300002E-02   1.131100     -0.1315000    
 H    1.712500      -1.320000      5.1899999E-02
 H    1.756700     -0.1272000      -1.239300    
 H   -2.025200      -3.134400      -1.389600    
 H   -3.454800      -3.063900     -0.3256000    
 H   -3.634700      -3.305700      -2.042700    
 H    2.284000      0.4469000       1.726200    
 H    2.263800       1.666900      0.4782000    
 H   -3.878500       2.533400     -0.5320000    
 H   -4.178100     -0.4456000       2.231800    
 H    4.113500      -1.184900       1.885100    
 H    4.051200       1.832000      -1.189200    
 H    6.506200      -1.600000       1.421900    
 H    6.444100       1.409400      -1.644600    
 H    7.675400     -0.3058000     -0.3422000    


%chk=000049361-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049361

0 1
O -2.209883 1.487316 -2.017188
O -2.392362 -1.877403 1.462732
O -5.072701 1.909717 1.618691
N -3.645861 1.639194 -0.214694
N -3.774446 -0.028799 1.451612
C -2.380862 -0.504934 -0.583922
C -0.862306 -0.783835 -0.774326
C -3.252856 -1.394324 -1.577721
C 0.059551 0.112758 0.082168
C -2.700311 0.944386 -0.994297
C -2.808699 -0.861858 0.847493
C 1.552655 -0.194438 -0.166692
C -3.030929 -2.915693 -1.476605
C 2.495883 0.687014 0.698270
C -4.231032 1.219199 0.993462
C 3.966876 0.404112 0.429441
C 4.659981 -0.599465 1.154976
C 4.668388 1.106971 -0.584514
C 6.013681 -0.895010 0.875864
C 6.022071 0.815935 -0.868084
C 6.700359 -0.188032 -0.138530
H -0.676354 -1.841162 -0.517155
H -0.626209 -0.641508 -1.845380
H -3.003995 -1.041739 -2.596563
H -4.323829 -1.163146 -1.408229
H -0.165766 -0.037828 1.158062
H -0.129557 1.180933 -0.147656
H 1.756852 -1.262737 0.047606
H 1.791811 -0.037202 -1.237671
H -2.011781 -3.202972 -1.786157
H -3.193036 -3.291963 -0.452517
H -3.740682 -3.430743 -2.149632
H 2.262382 0.510354 1.766926
H 2.269382 1.751854 0.492028
H -3.924469 2.570280 -0.542036
H -4.134135 -0.323651 2.365650
H 4.136026 -1.148973 1.947497
H 4.150850 1.891131 -1.151813
H 6.533143 -1.670697 1.450397
H 6.547975 1.373068 -1.652090
H 7.750897 -0.413208 -0.354403


