%chk=000055544.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055544

0 1
 O   -5.234100       2.220600     -0.9079000    
 O    1.754400     -0.8065000     -0.9435000    
 O  -0.8836000      -1.026100      -1.432600    
 N   -3.661900      0.2888000      0.4697000    
 N   -1.238400      -2.304600      0.4792000    
 C   -3.241300     -0.4158000       1.679100    
 C   -5.092000      7.2499998E-02  0.2104000    
 C   -3.382100       1.727300      0.5801000    
 C   -3.444900      -1.922500       1.511100    
 C   -5.509400      0.8265000      -1.048800    
 C   -3.840700       2.443000     -0.6874000    
 C   -2.656500      -2.487100      0.3329000    
 C  -0.4635000      -1.583800     -0.4224000    
 C   0.9952000      -1.555400     -1.8300001E-02
 C    2.865700     -0.1555000     -0.4624000    
 C    2.747800       1.144700      1.2900000E-02
 C    4.093800     -0.8053000     -0.4586000    
 C    5.112600       1.161000      0.5069000    
 C    3.875700       1.805700      0.4993000    
 C    5.221800     -0.1444000      2.8000001E-02
 C    1.432200       1.851400      1.2300000E-02
 C    4.231100      -2.202300     -0.9680000    
 C    6.318100       1.868000       1.027800    
 H   -2.183200     -0.2122000       1.884900    
 H   -3.804500     -7.1199998E-02   2.556300    
 H   -5.329000     -0.9788000      2.7400000E-02
 H   -5.692900      0.4196000       1.061100    
 H   -3.904300       2.151100       1.447700    
 H   -2.307400       1.896400      0.7136000    
 H   -4.500200      -2.202200       1.437300    
 H   -3.086600      -2.405100       2.430800    
 H   -6.586600      0.7159000      -1.210400    
 H   -4.999100      0.4407000      -1.939900    
 H   -3.273500       2.112000      -1.566100    
 H   -3.688400       3.521900     -0.5822000    
 H   -2.822000      -3.569300      0.2848000    
 H   -3.000600      -2.071400     -0.6194000    
 H  -0.7829000      -2.757800       1.266300    
 H    1.368500      -2.585200      5.0000002E-04
 H    1.063600      -1.136700      0.9937000    
 H    3.794400       2.823600      0.8733000    
 H    6.187600     -0.6444000      3.5200000E-02
 H   0.9338000       1.745300     -0.9571000    
 H   0.7830000       1.447100      0.7955000    
 H    1.549300       2.925300      0.1937000    
 H    3.863100      -2.914300     -0.2228000    
 H    3.674100      -2.337600      -1.901200    
 H    5.275900      -2.449700      -1.185900    
 H    6.810900       2.415900      0.2186000    
 H    7.034800       1.161800       1.460700    
 H    6.049700       2.576200       1.819000    


%chk=000055544-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055544

0 1
O -6.903841 0.851379 1.199284
O 1.795648 0.189715 -0.506126
O -1.423152 1.623943 0.444304
N -4.403682 -0.453170 0.527758
N -0.752241 -0.116135 -0.986942
C -3.232064 -1.357329 0.613204
C -5.694626 -1.170330 0.412790
C -4.459088 0.582268 1.592156
C -2.696364 -1.717385 -0.792722
C -6.829479 -0.167535 0.141073
C -5.610051 1.556416 1.298917
C -2.083028 -0.486439 -1.502611
C -0.527033 0.896972 -0.092025
C 0.949864 1.135060 0.251400
C 3.181955 0.191003 -0.149858
C 4.053994 1.143021 -0.736269
C 3.643938 -0.817386 0.736678
C 5.933277 0.092445 0.488667
C 5.428664 1.072585 -0.399203
C 5.024557 -0.843222 1.044763
C 3.536950 2.196400 -1.698884
C 2.685753 -1.841071 1.316129
C 7.416347 0.020536 0.811409
H -2.434745 -0.840109 1.177228
H -3.473380 -2.291135 1.176981
H -5.642320 -1.895761 -0.422065
H -5.929345 -1.742596 1.347161
H -4.616125 0.129357 2.603635
H -3.502089 1.134470 1.587800
H -3.527476 -2.103718 -1.415305
H -1.944090 -2.528754 -0.717811
H -7.813013 -0.667050 0.141673
H -6.658738 0.323850 -0.841892
H -5.405016 2.093138 0.347815
H -5.736455 2.284585 2.117049
H -1.989376 -0.674374 -2.588650
H -2.760816 0.372106 -1.350020
H 0.084536 -0.612075 -1.313242
H 1.092461 0.999399 1.341177
H 1.203657 2.181904 -0.004785
H 6.118641 1.799180 -0.847265
H 5.398827 -1.613459 1.731069
H 2.662693 1.824713 -2.260043
H 3.223018 3.115741 -1.166054
H 4.319998 2.489640 -2.419047
H 1.855547 -1.363746 1.868944
H 2.223116 -2.450349 0.518123
H 3.209591 -2.520374 2.009774
H 7.940301 -0.676046 0.128101
H 7.589714 -0.340016 1.840873
H 7.902085 1.006839 0.710081


