%chk=000060522.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060522

0 1
 O   -3.412200      -2.064600      0.5225000    
 O    3.484000       1.634800      0.6099000    
 O    4.690500     -5.1700000E-02 -0.6179000    
 N   -1.495600      0.8108000     -0.5070000    
 C   -3.956600      0.2506000      0.1208000    
 C   -1.590100     -0.6487000     -0.2283000    
 C   -3.358400       1.267800       1.095700    
 C   -3.861200      0.7830000      -1.312100    
 C   -1.923000       1.613300      0.6622000    
 C   -2.398700       1.139700      -1.636300    
 C   -3.031500     -0.9497000      0.1783000    
 C  -0.6069000      -1.120200      0.8378000    
 C   0.8193000     -0.8667000      0.4305000    
 C    1.420300      0.3407000      0.7703000    
 C    1.511400      -1.852700     -0.2826000    
 C    2.729000      0.5271000      0.3749000    
 C    2.836100      -1.638500     -0.6708000    
 C    3.417900     -0.4359000     -0.3262000    
 C    4.725600       1.260800     -2.1500001E-02
 H   -4.977900     -3.1199999E-02  0.3904000    
 H   -1.395400      -1.194600      -1.161500    
 H   -3.344900      0.8513000       2.110400    
 H   -3.971600       2.176100       1.118200    
 H   -4.496300       1.668800      -1.428000    
 H   -4.218100      2.4200000E-02  -2.019100    
 H   -1.860800       2.680400      0.4118000    
 H   -1.247000       1.490000       1.512800    
 H   -2.074000      0.6104000      -2.540900    
 H   -2.317600       2.206800      -1.878900    
 H  -0.7418000      -2.196900       1.011300    
 H  -0.8079000     -0.6672000       1.816800    
 H   0.9101000       1.107600       1.338200    
 H    1.027800      -2.790500     -0.5434000    
 H    3.382000      -2.394200      -1.224100    
 H    5.522400       1.283300      0.7307000    
 H    4.957500       1.994700     -0.8018000    


%chk=000060522-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060522

0 1
O -3.228824 -2.191225 -0.036493
O 3.572399 1.633888 -0.393294
O 4.987059 -0.310862 -0.429086
N -1.628057 1.123042 -0.082248
C -4.044768 0.135656 -0.168713
C -1.551162 -0.372141 -0.227010
C -3.852367 0.975965 1.135246
C -3.792854 1.061783 -1.397718
C -2.371806 1.505599 1.160499
C -2.352933 1.683657 -1.267503
C -2.983319 -0.962029 -0.143849
C -0.573695 -1.071330 0.754016
C 0.903763 -0.907559 0.417168
C 1.449361 0.388643 0.161280
C 1.747299 -2.047464 0.385148
C 2.814496 0.464662 -0.112369
C 3.140304 -1.951805 0.108689
C 3.646148 -0.674309 -0.135618
C 4.964361 1.164354 -0.619105
H -5.048409 -0.319672 -0.204440
H -1.182596 -0.573035 -1.255400
H -4.072889 0.356318 2.023053
H -4.580269 1.809412 1.126340
H -4.567975 1.851064 -1.409981
H -3.897880 0.486902 -2.335784
H -2.345919 2.606936 1.234848
H -1.824235 1.111139 2.033442
H -1.747184 1.480199 -2.168378
H -2.402545 2.779989 -1.142898
H -0.840291 -2.143731 0.755520
H -0.772177 -0.700553 1.779911
H 0.796816 1.266267 0.162593
H 1.315428 -3.035999 0.577911
H 3.784463 -2.834406 0.086643
H 5.627888 1.632605 0.128593
H 5.258768 1.396937 -1.657911


