%chk=000054492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054492

0 1
 O   -2.203000     -0.1153000      0.4263000    
 O    5.406100     -0.6653000     -0.1261000    
 O   -1.488900       1.862300     -0.4733000    
 N   -5.855700     -0.5467000      0.3334000    
 N   3.8999999E-03  0.2967000      0.4215000    
 C   -6.126700     -0.3724000      -1.093300    
 C   -6.772700      -1.599700      0.7683000    
 C   -7.645800     -0.4297000      -1.161600    
 C   -8.070400      -1.233100      6.3800000E-02
 C   -4.463400     -0.8781000      0.5981000    
 C   -3.547200      0.2426000      0.1334000    
 C   -1.235900      0.7936000      6.9200002E-02
 C    1.268100      0.9020000      0.2387000    
 C    3.671200      0.8441000      0.4808000    
 C    4.907000      0.1429000      0.9327000    
 C    2.424200      0.2458000      0.6612000    
 C    6.587100      -1.355600      0.2579000    
 C    1.359200       2.156400     -0.3644000    
 C    3.762200       2.098400     -0.1226000    
 C    7.079000      -2.181600     -0.9207000    
 C    2.606200       2.754600     -0.5452000    
 C    8.335400      -2.962000     -0.5780000    
 H   -5.697700      -1.184500      -1.694500    
 H   -5.769100      0.5850000      -1.484400    
 H   -6.895700      -1.617700       1.855700    
 H   -6.439600      -2.591900      0.4374000    
 H   -8.077500      0.5769000      -1.112300    
 H   -7.988200     -0.8967000      -2.090600    
 H   -8.642600      -2.124200     -0.2136000    
 H   -8.703700     -0.6150000      0.7110000    
 H   -4.166300      -1.819600      0.1167000    
 H   -4.313200      -1.029800       1.674700    
 H   -3.623700      0.3999000     -0.9478000    
 H   -3.795500       1.176700      0.6521000    
 H   1.1800000E-02 -0.6174000      0.8675000    
 H    4.689600     -0.4816000       1.808400    
 H    5.667600      0.8741000       1.234700    
 H    2.354100     -0.7334000       1.129800    
 H    7.355800     -0.6328000      0.5557000    
 H    6.367900      -2.009500       1.110200    
 H    4.728100       2.574100     -0.2708000    
 H   0.5092000       2.724100     -0.7169000    
 H    7.270900      -1.523400      -1.776500    
 H    6.289100      -2.871000      -1.242100    
 H    2.678500       3.731200      -1.015300    
 H    8.666900      -3.545800      -1.442500    
 H    8.153600      -3.654600      0.2499000    
 H    9.149400      -2.288800     -0.2907000    


%chk=000054492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054492

0 1
O -1.789115 -0.778242 1.045507
O 5.047477 -0.665478 0.070474
O -1.759687 1.456670 0.279777
N -5.416898 -1.077081 0.033716
N 0.193771 0.118702 0.455200
C -6.024132 0.289092 0.113627
C -6.182159 -1.851616 -0.976776
C -7.462091 0.139660 -0.474972
C -7.629537 -1.386839 -0.728810
C -3.954359 -1.109556 -0.123100
C -3.265351 -0.697925 1.189981
C -1.159551 0.386909 0.554247
C 1.229429 0.989668 0.015636
C 3.632783 1.262855 -0.407144
C 5.049829 0.714166 -0.409952
C 2.550295 0.467592 0.014974
C 6.392700 -1.251804 0.102980
C 0.987972 2.320489 -0.409915
C 3.396616 2.594575 -0.834556
C 6.268561 -2.685387 0.627643
C 2.082412 3.107069 -0.831371
C 7.637586 -3.397366 0.695032
H -5.431581 1.028064 -0.475794
H -6.040097 0.640854 1.161817
H -6.039871 -2.936721 -0.822227
H -5.874185 -1.609492 -2.026591
H -8.236282 0.533693 0.204983
H -7.542510 0.694456 -1.427066
H -8.298638 -1.607592 -1.578522
H -8.028650 -1.887009 0.171349
H -3.597949 -0.437214 -0.943891
H -3.646614 -2.141366 -0.375226
H -3.538193 0.331800 1.479681
H -3.511258 -1.402548 1.998989
H 0.466464 -0.824181 0.741571
H 5.701740 1.341343 0.241093
H 5.473026 0.756398 -1.440170
H 2.753582 -0.557838 0.341687
H 6.834395 -1.245027 -0.919952
H 7.053553 -0.647140 0.765680
H 4.231948 3.223914 -1.165439
H -0.028844 2.717662 -0.405979
H 5.578257 -3.244301 -0.031815
H 5.802344 -2.655850 1.630368
H 1.900501 4.136216 -1.160833
H 7.526502 -4.427403 1.077829
H 8.336546 -2.863317 1.366098
H 8.108862 -3.459355 -0.303936


