%chk=000178390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178390

0 1
 O    2.429100      0.3087000     -0.8922000    
 O   -4.245200     -0.4609000     -0.1423000    
 O    3.724600     -0.5751000      0.6682000    
 O    4.205100       1.470900     -7.6499999E-02
 N   -2.130300      0.4101000      0.2898000    
 N    3.553800      0.4247000     -3.0300001E-02
 C   -1.434700     -0.8430000      0.4760000    
 C  -0.3034000     -0.7033000       1.500300    
 C  -0.9244000      -1.388800     -0.8612000    
 C    1.393600     -0.5140000     -0.3657000    
 C   0.8965000      6.9200002E-02  0.9553000    
 C   0.2706000     -0.6026000      -1.395800    
 C   -3.480500      0.4901000     -4.3000001E-03
 C   -3.954700       1.913900     -0.1212000    
 H   -2.165600      -1.557800      0.8750000    
 H   3.2000002E-02  -1.705600       1.796400    
 H  -0.6719000     -0.2111000       2.408500    
 H   -1.724800      -1.387300      -1.610700    
 H  -0.6223000      -2.435100     -0.7248000    
 H    1.768400      -1.535900     -0.2146000    
 H   0.6301000       1.124500      0.8118000    
 H    1.668000      7.4699998E-02   1.731600    
 H   0.6470000      -1.073000      -2.312600    
 H  -4.3099999E-02  0.4068000      -1.691900    
 H   -1.589600       1.269300      0.3279000    
 H   -4.990200       1.930500     -0.4723000    
 H   -3.899700       2.400300      0.8566000    
 H   -3.332400       2.459600     -0.8362000    


%chk=000178390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178390

0 1
O 2.389109 0.434126 -0.920203
O -4.076882 -0.518976 -0.476233
O 3.932746 -0.592254 0.582959
O 4.606620 1.077232 -0.837488
N -2.162597 0.444370 0.413107
N 3.773842 0.286787 -0.323417
C -1.464280 -0.851787 0.575506
C -0.312646 -0.711370 1.597622
C -0.934070 -1.391498 -0.781215
C 1.359291 -0.459737 -0.288185
C 0.875161 0.125658 1.050604
C 0.235191 -0.541081 -1.335874
C -3.447887 0.518751 -0.101016
C -4.054675 1.917077 -0.181879
H -2.217943 -1.568516 0.952469
H 0.048499 -1.727613 1.847818
H -0.687271 -0.267264 2.539138
H -1.766209 -1.418198 -1.505381
H -0.601166 -2.438301 -0.631575
H 1.818953 -1.454354 -0.130004
H 0.579818 1.181108 0.884944
H 1.698048 0.129986 1.786881
H 0.625186 -0.979596 -2.271349
H -0.120720 0.479532 -1.572625
H -1.691996 1.300115 0.710777
H -4.300638 2.144979 -1.233517
H -5.002505 1.929611 0.383148
H -3.394979 2.711014 0.209785


