%chk=000129492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129492

0 1
 O    9.351500       1.038000       1.274200    
 O   -5.166900     -0.8739000      0.9491000    
 O   -3.485600       5.086800     -0.1563000    
 O   -5.187600       4.023000      0.7329000    
 N    3.428900     -0.6592000     -0.6264000    
 N    5.815000      0.6844000      0.3009000    
 N   -1.504900     -0.9453000     -0.7750000    
 N   -4.054700       4.024300      0.1929000    
 C    4.680800     -0.7144000      -1.391200    
 C    3.351300      0.5899000      0.1409000    
 C    5.893200     -0.5652000     -0.4657000    
 C    4.563700      0.7377000       1.066700    
 C    2.273700     -0.7977000      -1.510900    
 C   0.9545000     -0.8101000     -0.7325000    
 C  -0.2919000      -1.001300      -1.595900    
 C    6.970700      0.8246000       1.184400    
 C   -2.103600      0.3125000     -0.5351000    
 C   -2.001600      -2.145200     -0.2169000    
 C    8.258400      0.8848000      0.3783000    
 C   -3.364600      0.3726000      8.9699998E-02
 C   -3.260100      -2.147000      0.4161000    
 C   -4.023100     -0.8830000      0.5126000    
 C   -1.503300       1.539500     -0.8722000    
 C   -1.300100      -3.364600     -0.2374000    
 C   -4.011200       1.592700      0.3335000    
 C   -3.807500      -3.313400      0.9691000    
 C   -2.142600       2.759800     -0.6270000    
 C   -3.397300       2.786000     -3.0400001E-02
 C   -1.840200      -4.530200      0.3171000    
 C   -3.094600      -4.505900      0.9143000    
 H    4.757400      -1.679500      -1.906800    
 H    4.704700      6.9899999E-02  -2.160300    
 H    2.482200      0.6042000      0.8046000    
 H    3.281300       1.460700     -0.5246000    
 H    6.765800     -0.5826000      -1.124800    
 H    5.960900      -1.434900      0.2016000    
 H    4.541100     -4.7600001E-02   1.834700    
 H    4.486800       1.702100       1.583600    
 H    2.248600      8.0000004E-03  -2.256300    
 H    2.351000      -1.743400      -2.062200    
 H    1.001200      -1.596400      3.1500001E-02
 H   0.8260000      0.1276000     -0.1862000    
 H  -0.2262000      -1.941800      -2.156900    
 H  -0.3195000     -0.2492000      -2.394700    
 H    7.026500      8.1000002E-03   1.916800    
 H    6.889300       1.749800       1.769800    
 H    8.459000     -3.1900000E-02 -0.1801000    
 H    8.254500       1.733800     -0.3134000    
 H  -0.5250000       1.592500      -1.340600    
 H  -0.3123000      -3.452400     -0.6803000    
 H   -4.988000       1.592800      0.8110000    
 H   -4.780900      -3.307600       1.451900    
 H   -1.626300       3.670200     -0.9219000    
 H   -1.274900      -5.457300      0.2810000    
 H   -3.512100      -5.411500       1.343800    
 H    10.15870       1.091200      0.7346000    


%chk=000129492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129492

0 1
O 9.711728 0.735978 1.175770
O -5.352936 -0.997692 1.101198
O -4.108154 5.046830 -0.623369
O -5.795778 3.884569 0.385580
N 3.460195 -0.473515 -0.574198
N 6.082452 0.369303 0.357245
N -1.569051 -0.841097 -0.699203
N -4.630551 3.952183 -0.167209
C 4.675019 -0.645478 -1.413350
C 3.622772 0.696118 0.328307
C 5.920333 -0.809417 -0.528487
C 4.876152 0.532250 1.204136
C 2.231308 -0.415005 -1.396779
C 0.941731 -0.516503 -0.553693
C -0.283579 -0.816404 -1.446466
C 7.344317 0.345796 1.135911
C -2.310178 0.340583 -0.553467
C -2.021138 -2.061835 -0.132342
C 8.531386 0.846101 0.301266
C -3.608864 0.313269 0.063411
C -3.310938 -2.136626 0.486548
C -4.187380 -0.948731 0.586295
C -1.801784 1.600619 -1.011556
C -1.212192 -3.236460 -0.162663
C -4.363234 1.501831 0.184174
C -3.766783 -3.368160 1.026432
C -2.555600 2.769417 -0.886080
C -3.842123 2.711984 -0.290900
C -1.686085 -4.442774 0.380271
C -2.972210 -4.521746 0.974948
H 4.546481 -1.549033 -2.039009
H 4.831450 0.230288 -2.092891
H 2.738724 0.775182 0.985564
H 3.711714 1.647619 -0.255770
H 6.812159 -0.908923 -1.173281
H 5.818847 -1.752964 0.065713
H 4.724043 -0.344629 1.883006
H 5.000749 1.434137 1.831156
H 2.191688 0.514671 -2.026667
H 2.268509 -1.272495 -2.099325
H 1.074012 -1.318264 0.196243
H 0.760478 0.421226 0.003658
H -0.161009 -1.787923 -1.953793
H -0.367049 -0.070644 -2.255352
H 7.584637 -0.670132 1.531469
H 7.236887 1.015293 2.008390
H 8.659952 0.226402 -0.611577
H 8.345904 1.895034 -0.007355
H -0.805633 1.677620 -1.450736
H -0.205671 -3.219559 -0.585806
H -5.351666 1.449399 0.650550
H -4.762446 -3.368346 1.482117
H -2.172034 3.733169 -1.230923
H -1.042853 -5.328988 0.347231
H -3.331367 -5.466912 1.393264
H 10.504759 1.098380 0.707994


