%chk=000129132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129132

0 1
 I   -1.154500       2.482900       2.204300    
 O    3.474200     -0.8627000     -0.3139000    
 O    2.027800       1.599600      0.6751000    
 O    4.609900       2.486400      0.3384000    
 O    5.310500     -0.8705000      -2.455400    
 N    1.545600      -1.158600       1.059600    
 N  -0.2949000      -2.103600       1.906100    
 N   0.7718000     -0.7095000      -1.200000    
 N   -2.805400      -2.473100      0.2310000    
 N   -1.533100      -1.446400      -1.516700    
 N   -2.006400       3.821700     -0.6969000    
 C    3.065800      0.8472000       1.296700    
 C    2.907300     -0.6417000      0.9968000    
 C    4.386700       1.118200      0.6034000    
 C    4.234700      0.3061000     -0.6765000    
 C    5.561800     -0.1155000      -1.281400    
 C   0.6191000      -1.169600      5.0799999E-02
 C   0.9441000      -1.732600       2.153000    
 C  -0.5111000      -1.757600      0.5958000    
 C   -1.616100      -1.889700     -0.2392000    
 C   -4.076200      -2.274400     -0.4004000    
 C  -0.3616000     -0.8921000      -1.912000    
 C   -4.818100      -1.057200      0.1464000    
 C   -4.066900      0.2342000     -6.6000000E-02
 C   -3.179200      0.6725000      0.9041000    
 C   -4.278200      0.9596000      -1.228100    
 C   -2.485100       1.866300      0.7072000    
 C   -3.584400       2.153500      -1.424900    
 C   -2.687800       2.606800     -0.4573000    
 H    3.064200       1.075900       2.366200    
 H    3.509100      -1.238600       1.693900    
 H    5.212700      0.7364000       1.215200    
 H    3.650500      0.8449000      -1.433400    
 H    6.133300     -0.7491000     -0.5954000    
 H    6.169900      0.7528000      -1.551000    
 H    2.168200       2.533200      0.9075000    
 H    3.908400       2.800700     -0.2566000    
 H    1.458700      -1.849400       3.096900    
 H    4.763300      -1.633500      -2.201900    
 H   -2.796800      -2.812600       1.187200    
 H   -4.692500      -3.160400     -0.2064000    
 H   -3.980000      -2.212800      -1.491400    
 H  -0.3315000     -0.5469000      -2.939900    
 H   -5.806600     -0.9895000     -0.3255000    
 H   -5.012000      -1.189700       1.219200    
 H   -3.036800      9.1499999E-02   1.812100    
 H   -4.972200      0.6131000      -1.988400    
 H   -3.752100       2.719200      -2.338100    
 H   -1.348900       4.170600     -1.2200000E-02
 H   -2.170200       4.338000      -1.550800    


%chk=000129132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129132

0 1
I -2.464033 2.894186 2.933644
O 4.112723 -1.377931 0.306907
O 2.551934 1.744642 1.414684
O 2.995708 1.549881 -1.184579
O 6.341070 -2.040432 -1.244199
N 1.870233 -1.045021 1.188015
N -0.077248 -2.095253 1.826226
N 1.107025 -0.229445 -1.064223
N -2.510367 -2.129681 -0.012992
N -1.192117 -0.897456 -1.570395
N -3.008969 4.351956 -0.007165
C 3.630397 0.842426 1.105602
C 3.296411 -0.676923 1.293642
C 4.078185 0.979948 -0.403819
C 4.495982 -0.449461 -0.823491
C 6.004907 -0.635966 -1.018303
C 0.962864 -0.872940 0.136267
C 1.182518 -1.787892 2.168964
C -0.223224 -1.531909 0.547323
C -1.334932 -1.522645 -0.349064
C -3.738812 -2.076616 -0.816856
C -0.010209 -0.295349 -1.854085
C -4.827056 -1.149909 -0.191912
C -4.399283 0.306297 -0.118984
C -3.814674 0.837666 1.057103
C -4.514027 1.163937 -1.243202
C -3.355587 2.168693 1.100453
C -4.060804 2.491668 -1.201909
C -3.458644 3.038101 -0.025752
H 4.479280 1.069743 1.776201
H 3.614559 -1.040019 2.285217
H 4.918504 1.689615 -0.486843
H 3.943996 -0.784347 -1.719663
H 6.546540 -0.231339 -0.134383
H 6.339548 -0.097293 -1.921258
H 2.246917 2.100891 0.522586
H 2.235221 0.821010 -1.274993
H 1.659231 -2.065443 3.106800
H 5.898636 -2.564969 -0.526814
H -2.537577 -2.562281 0.914525
H -4.144648 -3.101348 -0.923138
H -3.453030 -1.708337 -1.815376
H 0.059351 0.204557 -2.824453
H -5.737086 -1.255036 -0.814738
H -5.086598 -1.529263 0.815850
H -3.716071 0.206796 1.946768
H -4.961842 0.784333 -2.169915
H -4.162418 3.135348 -2.084182
H -2.560038 4.732999 0.823110
H -3.083443 4.933812 -0.836005


