%chk=000094418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094418

0 1
 O    1.458200     -0.2060000      -2.331000    
 O    4.717300       1.577700      0.5847000    
 O    4.736100       3.396300     -0.7587000    
 O   -1.149100     -0.7390000      0.6253000    
 O   -3.709600      0.1117000      -1.770900    
 N    2.450100      0.6118000     -0.3962000    
 N   0.1533000      -2.054700     -0.7807000    
 N    4.999200      -2.270400     -0.1415000    
 N    5.186600      -2.051600       2.060600    
 N   -3.448000      -1.714700     -0.3640000    
 C    1.722000       2.942300     -0.7806000    
 C    1.013800       3.069700      0.5874000    
 C    2.841600       1.898600     -0.9104000    
 C    1.445500      -1.590700     -0.3414000    
 C    2.531900      -2.657800     -0.5222000    
 C    1.784200     -0.3454000      -1.154000    
 C  -0.1247000       4.087200      0.6008000    
 C    2.046000       3.445700       1.657100    
 C    4.171700       2.384500     -0.3566000    
 C    3.734500      -2.408600      0.3573000    
 C   -1.045900      -1.587000     -0.2573000    
 C    3.875700      -2.270100       1.718000    
 C   -2.238300      -2.212700     -0.9490000    
 C    5.836700      -2.057900      0.9180000    
 C   -4.097600     -0.5742000     -0.8287000    
 C   -5.327200     -0.1737000     -9.7300000E-02
 C   -5.723300       1.163700     -7.9000004E-02
 C   -6.085900      -1.134900      0.5706000    
 C   -6.877800       1.539900      0.6074000    
 C   -7.240500     -0.7587000       1.256900    
 C   -7.636500      0.5788000       1.275300    
 H    2.103400       3.927600      -1.079800    
 H   0.9466000       2.688500      -1.517000    
 H   0.5803000       2.098300      0.8559000    
 H    3.035600       1.756800      -1.982500    
 H    1.343200      -1.315800      0.7157000    
 H    2.663900      0.4106000      0.5762000    
 H    2.131100      -3.644200     -0.2536000    
 H    2.840100      -2.722200      -1.573600    
 H  -0.6161000       4.116100       1.579000    
 H  -0.8813000       3.826300     -0.1464000    
 H   0.2419000       5.093800      0.3730000    
 H    2.716000       2.612500       1.879900    
 H    1.547500       3.695000       2.600900    
 H    2.641000       4.315300       1.358800    
 H   0.1236000      -2.705200      -1.561100    
 H    5.269300      -2.315100      -1.115200    
 H    3.101900      -2.316500       2.470600    
 H   -2.208200      -1.975500      -2.017100    
 H   -2.214300      -3.297700     -0.8111000    
 H    5.584300       1.912900      0.8980000    
 H    6.900000      -1.915100      0.7896000    
 H   -3.779700      -2.190100      0.4685000    
 H   -5.143200       1.928100     -0.5894000    
 H   -5.829900      -2.190100      0.5557000    
 H   -7.185900       2.581300      0.6224000    
 H   -7.835500      -1.507700       1.771400    
 H   -8.536300      0.8714000       1.808500    


%chk=000094418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094418

0 1
O 3.513074 -0.003683 -1.218321
O 2.004245 1.414726 2.979837
O 2.548110 3.580234 2.341377
O -0.211592 -1.189631 1.190945
O -4.038036 -0.760469 -1.756058
N 2.044131 0.419724 0.537409
N 0.711516 -1.944204 -0.803202
N 5.383798 -2.039015 -0.824457
N 6.402685 -3.844472 0.079516
N -2.706755 -1.026317 0.119151
C 1.508120 2.723506 -0.374763
C -0.024847 2.487197 -0.354125
C 2.363882 1.851236 0.602543
C 2.120764 -1.877814 -0.334905
C 2.984011 -2.831041 -1.201390
C 2.630033 -0.402142 -0.383770
C -0.684428 3.347589 -1.459516
C -0.675872 2.778181 1.019655
C 2.318214 2.393706 2.029509
C 4.395304 -3.027681 -0.720341
C -0.355746 -1.635536 0.000472
C 5.050744 -4.134942 -0.164492
C -1.749092 -1.865403 -0.592745
C 6.566175 -2.567220 -0.330481
C -3.809082 -0.495632 -0.530181
C -4.703082 0.414948 0.271422
C -5.683711 1.148774 -0.444412
C -4.617510 0.565532 1.681128
C -6.553353 2.028983 0.231327
C -5.490896 1.444824 2.357542
C -6.457537 2.182184 1.634763
H 1.729128 3.784634 -0.148668
H 1.885164 2.518137 -1.394527
H -0.210561 1.420700 -0.602468
H 3.415921 1.962550 0.269706
H 2.129413 -2.209584 0.720177
H 1.328995 0.018779 1.167788
H 2.486984 -3.818094 -1.206252
H 2.987103 -2.447263 -2.241851
H -1.770069 3.147946 -1.518251
H -0.245367 3.137974 -2.452860
H -0.550045 4.426171 -1.250073
H -0.330896 2.079465 1.803769
H -1.775068 2.676501 0.952166
H -0.450243 3.808986 1.352679
H 0.548720 -2.201708 -1.780341
H 5.171715 -1.091125 -1.161069
H 4.638226 -5.115540 0.066124
H -1.801187 -1.620003 -1.670204
H -2.003069 -2.942748 -0.498558
H 2.002689 1.822649 3.887804
H 7.498164 -2.009205 -0.285934
H -2.431823 -0.747000 1.064812
H -5.741618 1.004157 -1.528186
H -3.896204 -0.011425 2.272179
H -7.304854 2.593040 -0.331655
H -5.421665 1.550428 3.445626
H -7.133519 2.864536 2.161835


