%chk=000022586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022586

0 1
 O    5.228700      -1.134100      0.2441000    
 N   0.2635000       1.333600     -0.1843000    
 N   -4.994000     -0.5799000      0.2580000    
 C   -1.056400      0.8485000     -7.5499997E-02
 C   -2.651900     -0.9493000     -0.3201000    
 C   -1.346600     -0.4694000     -0.4287000    
 C   -3.666900     -0.1112000      0.1418000    
 C    1.521200      0.7091000     -7.5800002E-02
 C   -2.071300       1.686600      0.3863000    
 C   -3.376400       1.206700      0.4950000    
 C   -2.935900      -2.364900     -0.7048000    
 C    2.610000       1.198200     -0.7991000    
 C    1.681000     -0.4014000      0.7549000    
 C    3.855200      0.5788000     -0.6923000    
 C    2.926300      -1.020800      0.8620000    
 C    4.013500     -0.5306000      0.1384000    
 H  -0.5679000      -1.124200     -0.8114000    
 H   0.3169000       2.329200     -0.3807000    
 H   -1.857200       2.715000      0.6656000    
 H   -4.157800       1.870300      0.8566000    
 H   -3.329800      -2.923900      0.1505000    
 H   -3.656500      -2.402000      -1.528500    
 H   -2.032400      -2.884900      -1.041700    
 H    2.499300       2.061400      -1.450600    
 H   0.8579000     -0.7915000       1.347300    
 H    4.694200      0.9703000      -1.261300    
 H    3.044800      -1.881700       1.514400    
 H   -5.235100      -1.528800      8.8999998E-03
 H   -5.716500      4.3200001E-02  0.5945000    
 H    5.864000     -0.6647000     -0.3235000    


%chk=000022586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022586

0 1
O 5.305463 -1.178577 0.304898
N 0.275128 1.383359 -0.283254
N -5.036806 -0.568238 0.310628
C -1.035013 0.856321 -0.107990
C -2.683877 -0.984346 -0.282236
C -1.370067 -0.488347 -0.422309
C -3.720829 -0.104521 0.166553
C 1.513217 0.717712 -0.152985
C -2.072056 1.716670 0.338749
C -3.393710 1.247605 0.458775
C -3.008019 -2.428562 -0.619108
C 2.674289 1.301568 -0.733913
C 1.666512 -0.496919 0.578235
C 3.942530 0.702055 -0.587667
C 2.929416 -1.104221 0.710334
C 4.071963 -0.510668 0.128606
H -0.595361 -1.157957 -0.810633
H 0.325760 2.373549 -0.524635
H -1.840049 2.756597 0.600136
H -4.180415 1.932264 0.799946
H -3.400210 -2.978104 0.261340
H -3.770187 -2.503526 -1.421655
H -2.111068 -2.966795 -0.967626
H 2.582304 2.231715 -1.308425
H 0.800260 -0.950372 1.067725
H 4.821891 1.177210 -1.042641
H 3.046701 -2.033776 1.275808
H -5.279789 -1.530829 0.103288
H -5.769202 0.054551 0.636404
H 6.035126 -0.677816 -0.136348


