%chk=000176598.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176598

0 1
 O    1.211500       2.976400     -0.7479000    
 O  -0.8954000      -3.030200      0.2089000    
 O   -3.285300      -3.026600      6.6500001E-02
 O    5.050000     -0.1980000     -9.7599998E-02
 N   -1.491800       3.053900     -0.1390000    
 C   0.6982000       2.046200      0.2157000    
 C   -1.390100      0.6238000     -5.9099998E-02
 C    1.496500      0.7556000      8.1900001E-02
 C  -0.6308000     -0.5786000      1.3100000E-02
 C  -0.7911000       1.891100     -3.1099999E-02
 C   0.8560000     -0.5038000     -4.0000002E-03
 C   -2.814400      0.5951000     -0.1544000    
 C   -1.376600      -1.759500      6.9100000E-02
 C   0.9090000       2.650000       1.616100    
 C   -2.755500      -1.773400     -1.5000000E-03
 C    2.907500      0.8376000      5.3700000E-02
 C   -3.496600     -0.6226000     -0.1297000    
 C    1.687800      -1.633900     -0.1500000    
 C   -3.531400       1.787200     -0.2638000    
 C    3.694700     -0.2997000     -7.1300000E-02
 C    3.082800      -1.536600     -0.1775000    
 C   -2.830000       2.974700     -0.2602000    
 C   -2.096300      -3.818700      0.2000000    
 C    5.791200      -1.409900     -0.2380000    
 H   0.3923000       3.612100       1.718000    
 H   0.5427000       1.982500       2.404900    
 H    1.967000       2.859100       1.812400    
 H    3.398500       1.806100      0.1291000    
 H   -4.579600     -0.6718000     -0.1920000    
 H    1.283500      -2.633200     -0.2663000    
 H   -4.614000       1.798600     -0.3475000    
 H    1.539500       2.490400      -1.523500    
 H    3.624000      -2.470000     -0.2909000    
 H   -3.344500       3.925800     -0.3459000    
 H   -2.152400      -4.385500       1.136300    
 H   -2.047000      -4.526300     -0.6356000    
 H    6.852800      -1.141700     -0.2385000    
 H    5.583500      -1.899100      -1.195700    
 H    5.630100      -2.080300      0.6131000    


%chk=000176598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176598

0 1
O 1.387812 3.134349 -0.404507
O -0.925152 -3.090154 0.309097
O -3.297933 -3.061309 0.091159
O 5.090666 -0.170515 -0.343334
N -1.305669 3.065862 -0.417524
C 0.761277 2.016119 0.308454
C -1.362816 0.631883 -0.106747
C 1.544704 0.732165 0.059788
C -0.594303 -0.591492 0.081716
C -0.698307 1.894200 -0.123277
C 0.880225 -0.537433 0.065158
C -2.798479 0.630462 -0.304998
C -1.373059 -1.748167 0.157610
C 0.781296 2.332086 1.839970
C -2.794584 -1.743075 0.014982
C 2.937517 0.809255 -0.083009
C -3.533545 -0.601407 -0.234546
C 1.679901 -1.709279 -0.037417
C -3.430573 1.885883 -0.579604
C 3.711788 -0.369595 -0.200738
C 3.080410 -1.638912 -0.163785
C -2.661507 3.050084 -0.659491
C -2.150592 -3.901450 0.506328
C 5.938979 -1.356900 -0.482460
H 0.194151 3.247432 2.031984
H 0.362718 1.500955 2.436252
H 1.826339 2.501322 2.150227
H 3.426974 1.785893 -0.118815
H -4.616367 -0.631929 -0.375551
H 1.198824 -2.689908 -0.033977
H -4.512498 1.928650 -0.740758
H 0.629526 3.761772 -0.596384
H 3.658512 -2.564146 -0.243301
H -3.113972 4.015475 -0.906896
H -2.251936 -4.149283 1.579643
H -2.100900 -4.789426 -0.141162
H 6.961917 -0.966676 -0.586159
H 5.668957 -1.941107 -1.383549
H 5.876000 -2.004883 0.413421


