%chk=000041585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041585

0 1
 O   0.6195000      0.1502000      0.2910000    
 O  -0.2821000      -1.931700      3.1999999E-03
 O   -3.847100       1.677000      0.3988000    
 N    4.304300      0.1639000      0.3866000    
 N   -1.617900     -2.1800000E-02  0.2234000    
 C    5.281100       1.224700      0.6703000    
 C    4.579900     -0.4806000     -0.9051000    
 C    6.706100      0.6697000      0.6981000    
 C    5.982000      -1.091100     -0.9290000    
 C    7.046300     -4.9699999E-02 -0.6021000    
 C    2.944000      0.7011000      0.4102000    
 C    1.923600     -0.4137000      0.2450000    
 C  -0.4310000     -0.7255000      0.1561000    
 C   -2.935100     -0.5261000      0.1312000    
 C   -4.017100      0.3362000      0.2214000    
 C   -3.116300      -1.889200     -4.9300000E-02
 C   -5.311100     -0.1765000      0.1287000    
 C   -4.410300      -2.401700     -0.1419000    
 C   -5.507600      -1.545400     -5.2900001E-02
 C   -4.374300       2.535400     -0.6102000    
 C   -3.536600       3.794700     -0.6735000    
 H    5.070800       1.671600       1.649600    
 H    5.213500       2.027500     -7.5800002E-02
 H    4.472100      0.2329000      -1.732600    
 H    3.905400      -1.318500      -1.099000    
 H    7.417900       1.485700      0.8662000    
 H    6.812800     -2.6500000E-02   1.539800    
 H    6.039000      -1.911600     -0.2022000    
 H    6.181500      -1.524200      -1.915800    
 H    7.107600      0.6799000      -1.419000    
 H    8.028700     -0.5276000     -0.5220000    
 H    2.750800       1.201500       1.368200    
 H    2.793100       1.464300     -0.3651000    
 H    2.030400      -1.152600       1.048400    
 H    2.009600     -0.9143000     -0.7227000    
 H   -1.540100      0.9838000      0.3547000    
 H   -2.322400      -2.617000     -0.1278000    
 H   -6.176400      0.4763000      0.2049000    
 H   -4.565000      -3.467600     -0.2828000    
 H   -6.515200      -1.944900     -0.1230000    
 H   -5.409100       2.789800     -0.3564000    
 H   -4.360900       2.044300      -1.591200    
 H   -2.495200       3.552700     -0.9105000    
 H   -3.532200       4.304300      0.2957000    
 H   -3.920700       4.482500      -1.432100    


%chk=000041585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041585

0 1
O 0.631449 0.119654 0.164335
O -0.259750 -2.057404 0.318564
O -3.547444 1.615693 -0.253285
N 4.370865 0.201342 0.139978
N -1.609690 -0.126818 0.046030
C 5.333088 1.240123 0.587088
C 4.830508 -0.460868 -1.108460
C 6.723081 0.624314 0.848010
C 6.203993 -1.131521 -0.905603
C 7.246562 -0.102342 -0.412496
C 2.975814 0.692105 0.050527
C 1.993148 -0.452106 0.332819
C -0.421776 -0.817193 0.188930
C -2.917737 -0.667516 0.011915
C -3.979227 0.276458 -0.150392
C -3.225350 -2.042818 0.125543
C -5.320555 -0.150428 -0.197341
C -4.574023 -2.466544 0.077618
C -5.617073 -1.530734 -0.082566
C -4.570879 2.662772 -0.431694
C -3.835854 3.997163 -0.523670
H 4.942783 1.700245 1.513941
H 5.435124 2.058036 -0.176011
H 4.903936 0.283095 -1.947028
H 4.083683 -1.217700 -1.409932
H 7.425599 1.420697 1.161260
H 6.637941 -0.098173 1.682646
H 6.096878 -1.940382 -0.157506
H 6.531607 -1.593672 -1.856765
H 7.435483 0.642329 -1.213962
H 8.212083 -0.599277 -0.200380
H 2.824107 1.481247 0.809460
H 2.739752 1.144657 -0.943085
H 2.108963 -0.828682 1.363887
H 2.115396 -1.300219 -0.363647
H -1.548365 0.891338 -0.047947
H -2.408696 -2.757163 0.249252
H -6.132959 0.571341 -0.321478
H -4.802464 -3.533748 0.166617
H -6.659807 -1.863343 -0.119246
H -5.265881 2.642775 0.432292
H -5.146748 2.453734 -1.356171
H -3.139320 4.001771 -1.379447
H -3.259964 4.191094 0.397349
H -4.561986 4.818869 -0.660449


