%chk=000094175.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094175

0 1
 O   0.6989000       1.698200      -2.326700    
 O   -2.922200      -2.816200     -0.6849000    
 N    3.031400      0.6988000     -0.9976000    
 N   -2.888500       2.461300      0.9612000    
 C    3.000700     -0.3793000       1.369100    
 C    1.804900       1.114600     -0.2652000    
 C    1.682500      0.3659000       1.080500    
 C    3.217500      -1.456100      0.2796000    
 C    4.147200      0.6400000       1.234900    
 C    3.090900     -0.7797000      -1.106500    
 C    4.206600       1.151000     -0.2147000    
 C   0.5408000      0.9670000      -1.114800    
 C    2.286300      -2.622500      0.4184000    
 C  -0.6849000       1.459600     -0.3873000    
 C    2.688400      -3.880300      0.6292000    
 C   -1.776800      0.6274000     -0.1381000    
 C  -0.6843000       2.777700      2.8200001E-02
 C   -2.877100       1.178800      0.5515000    
 C   -1.798500     -0.7156000     -0.5508000    
 C   -1.805800       3.227400      0.6952000    
 C   -3.970700      0.3552000      0.8048000    
 C   -2.905200      -1.516600     -0.2841000    
 C   -3.992500     -0.9801000      0.3945000    
 C   -4.090000      -3.576500     -0.3766000    
 H    2.988200     -0.8162000       2.373700    
 H    1.941800       2.183700     -5.2499998E-02
 H   0.8475000     -0.3408000       1.094800    
 H    1.493500       1.090900       1.882500    
 H    4.250300      -1.821300      0.3798000    
 H    5.103200      0.1771000       1.506100    
 H    3.984600       1.477900       1.923600    
 H    3.965500      -1.049400      -1.714300    
 H    2.238400      -1.161800      -1.678800    
 H    4.264600       2.246500     -0.2229000    
 H    5.129500      0.8072000     -0.6990000    
 H   0.4522000     -6.6000000E-02  -1.432600    
 H    1.218700      -2.443000      0.3224000    
 H    1.519800       1.393100      -2.749800    
 H    1.962700      -4.682300      0.7102000    
 H    3.738500      -4.133400      0.7246000    
 H   0.1360000       3.459200     -0.1633000    
 H  -0.9872000      -1.200100      -1.079500    
 H   -1.871700       4.252800       1.043900    
 H   -4.834400      0.7527000       1.335000    
 H   -4.888800      -1.540000      0.6385000    
 H   -4.233600      -3.671900      0.7051000    
 H   -3.931200      -4.586500     -0.7686000    
 H   -4.976200      -3.173700     -0.8787000    


%chk=000094175-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094175

0 1
O 1.136577 1.945170 -2.216127
O -2.833682 -2.778662 -0.042604
N 3.017655 0.814764 -0.724570
N -3.117166 2.831548 0.391752
C 2.864877 -0.768932 1.321815
C 1.666881 0.962028 -0.060998
C 1.472160 -0.143512 1.020175
C 3.368969 -1.577520 0.078609
C 3.889049 0.369458 1.596127
C 3.245613 -0.601536 -1.157846
C 4.069299 1.198968 0.272582
C 0.589968 1.052015 -1.194123
C 2.624142 -2.872760 -0.148349
C -0.726361 1.615863 -0.677245
C 3.190626 -4.105239 -0.174846
C -1.828518 0.781274 -0.251779
C -0.878188 3.003243 -0.585349
C -3.003165 1.450312 0.288112
C -1.839600 -0.644196 -0.340001
C -2.077354 3.565417 -0.049867
C -4.109950 0.662880 0.732491
C -2.944342 -1.385346 0.099772
C -4.093737 -0.729874 0.650008
C -3.962979 -3.605750 0.390549
H 2.795779 -1.439665 2.196467
H 1.687484 1.960544 0.417570
H 0.763825 -0.922918 0.687440
H 1.042762 0.293650 1.939445
H 4.437200 -1.820424 0.248316
H 4.854620 -0.057393 1.925875
H 3.517975 1.014209 2.415476
H 4.163020 -0.632158 -1.771211
H 2.409926 -0.903251 -1.813930
H 3.990358 2.283932 0.462352
H 5.054810 1.011004 -0.190265
H 0.428472 0.043784 -1.631695
H 1.538010 -2.788266 -0.316708
H 2.136057 1.821447 -2.112725
H 2.596092 -5.008183 -0.353138
H 4.267892 -4.246721 -0.018309
H -0.078261 3.650740 -0.955151
H -1.001584 -1.195726 -0.775519
H -2.188950 4.654006 0.021735
H -4.973639 1.200386 1.135659
H -4.957357 -1.305373 0.995882
H -4.157023 -3.490130 1.474576
H -3.655100 -4.640345 0.179463
H -4.881643 -3.368068 -0.179897


