%chk=000138577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138577

0 1
 O    2.130600     -0.3455000     -9.9999997E-05
 O    1.578200       1.879600      1.2000001E-03
 N   -2.246700      0.4219000     -3.9999999E-04
 N   -1.132400       1.173200      3.0000001E-04
 C   -2.006000     -0.9208000       0.000000    
 C  -0.1536000      0.2642000      8.9999998E-04
 C  -0.6393000      -1.057200      5.0000002E-04
 C   -3.079900      -1.931100      1.1000000E-03
 C   -3.536300       1.072400     -2.4999999E-03
 C    1.217000      0.6899000      8.9999998E-04
 C    3.518200      8.9999996E-03 -5.0000002E-04
 C    4.350100      -1.255800     -1.5000000E-03
 H  -8.2599998E-02  -1.983700      8.9999998E-04
 H   -3.711300      -1.831700     -0.8876000    
 H   -2.664600      -2.944300      2.0000001E-03
 H   -3.711200      -1.830000      0.8897000    
 H   -3.399600       2.157100     -3.7000000E-03
 H   -4.076200      0.7673000     -0.9022000    
 H   -4.078000      0.7695000      0.8969000    
 H    3.741600      0.6013000     -0.8946000    
 H    3.742400      0.6004000      0.8940000    
 H    5.418200      -1.021300     -1.9000000E-03
 H    4.122400      -1.867300      0.8778000    
 H    4.121500      -1.866500     -0.8812000    


%chk=000138577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138577

0 1
O 2.141154 -0.323896 -0.000466
O 1.674303 1.967771 -0.001017
N -2.299656 0.434631 -0.000724
N -1.163437 1.225937 -0.000989
C -2.016532 -0.933684 -0.000094
C -0.131685 0.314818 -0.000553
C -0.617932 -1.031495 0.000000
C -3.087968 -1.985296 0.000327
C -3.613384 1.080170 -0.001010
C 1.268613 0.782731 -0.000685
C 3.594625 0.011072 -0.000584
C 4.351153 -1.313698 -0.000345
H -0.015984 -1.935633 0.000399
H -3.739099 -1.915731 -0.891931
H -2.627139 -2.985754 0.000741
H -3.739117 -1.915002 0.892515
H -3.443696 2.166081 -0.002154
H -4.191897 0.800439 -0.899324
H -4.191421 0.802282 0.898189
H 3.813154 0.623415 -0.894572
H 3.813219 0.623784 0.893136
H 5.440157 -1.123807 -0.000439
H 4.102581 -1.909084 0.894993
H 4.102489 -1.909450 -0.895413


