%chk=000052561.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052561

0 1
 O   -4.874800      0.1708000      0.8996000    
 O   -3.956600       1.091000     -0.9631000    
 N    1.574000      -1.809500      0.4595000    
 C  -4.4999998E-03 -0.1091000      0.2393000    
 C    1.187800      0.3076000     -0.6358000    
 C   0.1243000      -1.632600      0.3087000    
 C    2.243000     -0.8026000     -0.3821000    
 C   -1.346700      0.4062000     -0.2647000    
 C    1.644400       1.715700     -0.3600000    
 C  -0.4091000      -2.403500     -0.8993000    
 C    3.524100     -0.3350000      0.2537000    
 C   -2.512300     -3.2900002E-02  0.6121000    
 C    2.849500       1.996200      0.1530000    
 C    3.788700      0.9574000      0.4883000    
 C   -3.831600      0.4802000      9.0800002E-02
 H   0.1484000      0.2889000       1.255100    
 H   0.8952000      0.2575000      -1.694100    
 H  -0.3707000      -2.015800       1.208200    
 H    2.496300      -1.264400      -1.345700    
 H    1.861300      -2.749500      0.1918000    
 H   -1.323400       1.503300     -0.2974000    
 H   -1.516200      8.5699998E-02  -1.300300    
 H   0.9660000       2.530400     -0.5964000    
 H   2.3100000E-02  -2.051100      -1.841600    
 H  -0.1745000      -3.470100     -0.8070000    
 H   -1.496800      -2.322700     -0.9802000    
 H    4.270100      -1.081900      0.5124000    
 H   -2.584600      -1.122900      0.6631000    
 H   -2.375300      0.3579000       1.626700    
 H    3.145400       3.023400      0.3362000    
 H    4.729800       1.254300      0.9385000    
 H   -5.726500      0.5004000      0.5411000    


%chk=000052561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052561

0 1
O -4.792616 0.273328 1.146191
O -3.965758 1.484803 -0.652658
N 1.642179 -1.956998 0.258412
C 0.048715 -0.216963 0.130569
C 1.255215 0.192554 -0.788899
C 0.169120 -1.770588 0.169628
C 2.380562 -0.816177 -0.382454
C -1.304779 0.361504 -0.319723
C 1.621730 1.658011 -0.664601
C -0.470192 -2.498076 -1.042855
C 3.409713 -0.234006 0.578775
C -2.449327 0.016856 0.653867
C 2.691498 2.076466 0.074614
C 3.558338 1.109283 0.770723
C -3.761337 0.678292 0.280700
H 0.277567 0.153960 1.150811
H 0.955331 -0.014295 -1.836360
H -0.301931 -2.160037 1.095160
H 2.922086 -1.161767 -1.292672
H 1.976273 -2.889984 -0.005930
H -1.225971 1.462076 -0.393262
H -1.561200 0.005940 -1.335736
H 0.966096 2.388344 -1.155596
H -0.075670 -2.115486 -2.002409
H -0.246028 -3.580542 -0.992657
H -1.571555 -2.393452 -1.056918
H 4.043691 -0.957349 1.107113
H -2.625365 -1.073995 0.714855
H -2.195472 0.332913 1.685563
H 2.908522 3.146758 0.177187
H 4.325427 1.490811 1.456017
H -5.637063 0.731115 0.882945


