%chk=000041313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041313

0 1
 O   0.5981000      0.3697000     -1.7500000E-02
 O   -1.266000      0.4422000       1.747600    
 O  -0.7831000       1.798400      -1.174900    
 N    5.424900      0.1364000     -0.3125000    
 C    6.654500      0.6252000     -0.9361000    
 C    5.629200      0.3193000       1.124100    
 C    7.741900      6.8499997E-02 -2.8999999E-02
 C    7.067300     -0.1359000       1.324000    
 C    4.241600      0.8305000     -0.7982000    
 C    2.987400      0.2600000     -0.1442000    
 C    1.729100      0.9527000     -0.6498000    
 C   -1.750900      0.2046000      0.4103000    
 C  -0.6252000      0.8885000     -0.3696000    
 C   -1.865400      -1.299100      0.1480000    
 C   -3.103400      0.8957000      0.2232000    
 C   -1.659400      -1.761800      -1.131200    
 C   -3.716400      0.8215000      -1.006500    
 C   -2.169600      -2.130000       1.201500    
 C   -3.654900       1.564500       1.291700    
 C   -1.763500      -3.132000      -1.370200    
 C   -4.949300       1.451100      -1.177100    
 C   -2.273600      -3.500200      0.9624000    
 C   -4.887900       2.194000       1.120900    
 C   -2.070500      -4.001200     -0.3235000    
 C   -5.535000       2.137400     -0.1135000    
 H    6.766200      0.2685000      -1.964800    
 H    6.701000       1.721800     -0.9392000    
 H    5.528100       1.370600       1.422600    
 H    4.955600     -0.2888000       1.735500    
 H    8.594000      0.7521000      4.2100001E-02
 H    8.111700     -0.8916000     -0.4078000    
 H    7.106500      -1.196100       1.600700    
 H    7.563400      0.4361000       2.114800    
 H    4.164500      0.6972000      -1.884400    
 H    4.304300       1.910100     -0.6087000    
 H    3.008300      0.3724000      0.9461000    
 H    2.908900     -0.8182000     -0.3356000    
 H    1.768600       2.022400     -0.4132000    
 H    1.642900      0.8276000      -1.735600    
 H   -1.412500      -1.106400      -1.960000    
 H   -3.276200      0.3158000      -1.857600    
 H   -2.345200      -1.759300       2.206300    
 H   -3.184800       1.629700       2.266700    
 H  -0.5138000     -0.1520000       1.915100    
 H   -1.604000      -3.522500      -2.371100    
 H   -5.451000       1.411700      -2.139700    
 H   -2.515900      -4.177000       1.776600    
 H   -5.344700       2.728400       1.948800    
 H   -2.151900      -5.068100     -0.5098000    
 H   -6.494300       2.628700     -0.2466000    


%chk=000041313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041313

0 1
O 0.639878 0.166324 -0.007119
O -1.217733 -0.239352 1.732259
O -0.775085 0.808786 -1.738754
N 5.574178 0.328091 -0.017786
C 6.829479 0.473759 -0.800986
C 5.801597 1.109344 1.229281
C 7.929504 0.281137 0.266272
C 7.300603 0.867368 1.574775
C 4.352123 0.676920 -0.763967
C 3.070152 0.295084 0.009695
C 1.823873 0.561522 -0.832095
C -1.725905 -0.191703 0.358895
C -0.614990 0.341358 -0.592837
C -2.127716 -1.620740 -0.107157
C -2.933248 0.771667 0.353235
C -2.095148 -2.028764 -1.463777
C -3.768378 0.878098 -0.785691
C -2.577460 -2.533107 0.879881
C -3.203470 1.569060 1.490774
C -2.504230 -3.333139 -1.824810
C -4.857991 1.775383 -0.787039
C -2.989185 -3.832773 0.515456
C -4.299876 2.461277 1.489202
C -2.953859 -4.239457 -0.839022
C -5.129703 2.570237 0.350826
H 6.871577 -0.276454 -1.610857
H 6.914316 1.490352 -1.266998
H 5.615575 2.201791 1.058623
H 5.122300 0.775251 2.032669
H 8.870895 0.783904 -0.015458
H 8.141317 -0.794147 0.393854
H 7.408372 0.156429 2.411167
H 7.787648 1.810933 1.876815
H 4.373412 0.125329 -1.724801
H 4.321300 1.772272 -1.016080
H 3.003056 0.873337 0.949588
H 3.124318 -0.775539 0.278081
H 1.710418 1.627498 -1.102185
H 1.805770 -0.037451 -1.761452
H -1.749689 -1.338515 -2.241386
H -3.573901 0.265039 -1.670356
H -2.592015 -2.211116 1.925341
H -2.556207 1.472861 2.365716
H -0.258906 -0.494192 1.686958
H -2.470420 -3.638217 -2.876863
H -5.495815 1.851337 -1.674826
H -3.337426 -4.528087 1.287760
H -4.503624 3.070365 2.377390
H -3.271401 -5.249661 -1.120863
H -5.978678 3.263400 0.349748


