%chk=000025957.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025957

0 1
 O    6.198500     -0.8634000     -0.5372000    
 O   -3.101700       5.746100     -0.7554000    
 N   -1.418400     -0.2447000      0.6201000    
 N   -3.771100      -3.096500      0.1201000    
 N   0.3942000      0.9329000      0.1023000    
 C   -2.314400      -1.321900      0.9657000    
 C   -2.893800      -2.000500     -0.2721000    
 C  -0.1213000     -0.2942000      0.4147000    
 C   -1.759400       1.075100      0.4329000    
 C  -0.6389000       1.834400      0.1069000    
 C   0.6644000      -1.541300      0.5134000    
 C   -4.721600      -3.405000     -0.9500000    
 C   -2.989200      -4.286100      0.4626000    
 C   -3.011600       1.706200      0.5241000    
 C  -0.6883000       3.207100     -0.1389000    
 C    2.149900      -1.359000      0.2318000    
 C   -1.942700       3.818800     -4.4000000E-02
 C   -3.084900       3.083700      0.2816000    
 C   -4.003500      -3.877500      -2.202700    
 C   -3.887700      -5.415600      0.9372000    
 C    3.026500      -1.059400       1.274700    
 C    2.633900      -1.492000      -1.069600    
 C   -2.058200       5.248800     -0.2886000    
 C    4.386900     -0.8928000       1.016200    
 C    3.994400      -1.325300      -1.328200    
 C    4.870900      -1.025600     -0.2853000    
 C  -0.8908000       6.177800      2.4400000E-02
 C    6.916000      3.1099999E-02  0.3118000    
 C    8.062000      0.6390000     -0.4685000    
 H   -3.112900     -0.9115000       1.595000    
 H   -1.757000      -2.016200       1.601400    
 H   -3.456900      -1.237700     -0.8272000    
 H   -2.083900      -2.329100     -0.9358000    
 H   0.5591000      -1.974300       1.516600    
 H   0.2702000      -2.293800     -0.1815000    
 H   -5.473200      -4.136600     -0.6352000    
 H   -5.303600      -2.505000      -1.187800    
 H   -2.330000      -4.053600       1.306800    
 H   -2.326100      -4.631800     -0.3385000    
 H   -3.910100       1.150500      0.7731000    
 H   0.2119000       3.750700     -0.4009000    
 H   -4.055300       3.569800      0.3566000    
 H   -3.275000      -3.159200      -2.588500    
 H   -3.517600      -4.849900      -2.083500    
 H   -4.746000      -4.010600      -2.999100    
 H   -3.277600      -6.196600       1.405200    
 H   -4.432300      -5.893400      0.1175000    
 H   -4.607200      -5.072600       1.688700    
 H    2.661300     -0.9578000       2.293300    
 H    1.960400      -1.723600      -1.890500    
 H    5.038700     -0.6874000       1.860200    
 H    4.365600      -1.429400      -2.344000    
 H  -0.2398000       6.255000     -0.8498000    
 H  -0.3273000       5.816200      0.8887000    
 H   -1.281200       7.168000      0.2781000    
 H    6.283700      0.8560000      0.6632000    
 H    7.306500     -0.5242000       1.171700    
 H    8.641700       1.324000      0.1566000    
 H    7.687900       1.186500      -1.339900    
 H    8.728500     -0.1433000     -0.8468000    


%chk=000025957-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025957

0 1
O 6.362739 -0.430869 -0.613775
O -3.946317 5.763600 -0.350449
N -1.499174 -0.084961 0.760223
N -3.537309 -3.212243 0.024061
N 0.277679 1.283892 0.276969
C -2.273189 -1.308128 1.025294
C -2.773460 -1.985896 -0.281053
C -0.095273 0.033151 0.592580
C -2.044819 1.181937 0.519898
C -0.923214 2.028747 0.224385
C 0.813607 -1.156611 0.794874
C -4.757361 -3.398836 -0.803813
C -2.676522 -4.413536 0.177242
C -3.371348 1.669819 0.536187
C -1.122403 3.391662 -0.065628
C 2.280813 -0.926545 0.457004
C -2.447859 3.897270 -0.057019
C -3.551228 3.031171 0.244233
C -4.524925 -3.724865 -2.304186
C -3.387425 -5.588939 0.872972
C 3.286782 -1.232902 1.399221
C 2.681591 -0.454105 -0.821528
C -2.751902 5.335265 -0.355300
C 4.660894 -1.083935 1.095094
C 4.039688 -0.303807 -1.145235
C 5.037889 -0.618612 -0.187655
C -1.597447 6.285568 -0.666195
C 7.441100 -0.717174 0.351501
C 8.759726 -0.429999 -0.362014
H -3.144884 -1.058786 1.654759
H -1.648890 -2.010931 1.602803
H -3.427016 -1.271289 -0.814633
H -1.897864 -2.173645 -0.948867
H 0.733096 -1.488228 1.850385
H 0.421018 -2.000775 0.186996
H -5.367325 -4.198048 -0.344574
H -5.355507 -2.471370 -0.720547
H -1.804290 -4.118904 0.792538
H -2.261359 -4.756767 -0.803536
H -4.227274 1.026538 0.766668
H -0.261360 4.027961 -0.289111
H -4.550837 3.477909 0.238057
H -3.936243 -2.932414 -2.802179
H -3.991109 -4.683265 -2.437234
H -5.494386 -3.805676 -2.829831
H -2.669806 -6.407651 1.063607
H -4.204932 -6.002522 0.256109
H -3.813789 -5.261577 1.837570
H 3.002901 -1.590430 2.397114
H 1.920647 -0.180602 -1.559699
H 5.408772 -1.326493 1.855581
H 4.354449 0.064136 -2.126588
H -1.033805 5.949799 -1.556483
H -0.884135 6.334187 0.177442
H -2.003572 7.290890 -0.854422
H 7.317135 -0.071311 1.245395
H 7.379963 -1.778251 0.671612
H 9.610304 -0.625706 0.316116
H 8.804555 0.623745 -0.685854
H 8.866809 -1.071343 -1.253382


