%chk=000022937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022937

0 1
 O    3.042400      -1.016900     -0.1705000    
 O   -2.004900      -2.769700     -0.1457000    
 O    3.935500      -3.355900      0.2566000    
 O    3.356400      -5.984900      0.6574000    
 O    4.393100       6.420300      0.7680000    
 O   -7.628000       2.304200      0.8199000    
 N    2.347900       1.435200     -0.6070000    
 N   -2.965500     -0.3827000     -0.5822000    
 C   0.7655000     -0.4573000     -0.3798000    
 C  -0.5561000     -0.9082000     -0.3741000    
 C    1.577600      -2.831800      4.9800001E-02
 C   0.2559000      -3.282800      5.5100001E-02
 C    1.039300      0.9000000     -0.5869000    
 C   -1.603900     -1.8000000E-03 -0.5756000    
 C    1.880700      -1.402600     -0.1682000    
 C  -0.8592000      -2.337400     -0.1563000    
 C  -7.8999996E-03   1.799900     -0.7871000    
 C   -1.326700       1.349900     -0.7815000    
 C    2.625300      -3.738100      0.2524000    
 C  -1.7899999E-02  -4.640000      0.2628000    
 C    2.347900      -5.089700      0.4590000    
 C    1.029100      -5.539700      0.4642000    
 C    2.864500       2.695800     -0.2593000    
 C   -4.144300      0.2966000     -0.2272000    
 C    3.997100       3.192800     -0.9088000    
 C    2.248400       3.456700      0.7372000    
 C   -5.348500     -7.7000000E-03 -0.8664000    
 C   -4.116700       1.279200      0.7655000    
 C    4.510300       4.443200     -0.5638000    
 C    2.761500       4.707100       1.082100    
 C   -6.518100      0.6664000     -0.5150000    
 C   -5.286200       1.953000       1.117000    
 C    3.892500       5.200300      0.4316000    
 C   -6.486900       1.646800      0.4767000    
 H   0.1674000       2.853200     -0.9889000    
 H   -2.111300       2.075500     -0.9784000    
 H   -1.036600      -5.018400      0.2719000    
 H    3.042600      0.7997000     -0.9876000    
 H   -3.127100      -1.312900     -0.9563000    
 H   0.8088000      -6.591700      0.6248000    
 H    4.487500       2.613200      -1.686800    
 H    1.382100       3.088600       1.280300    
 H   -5.386300     -0.7690000      -1.641600    
 H   -3.202300       1.521800       1.300300    
 H    4.021700      -2.404400      9.9600002E-02
 H    4.202200      -5.505100      0.6227000    
 H    5.391900       4.816200      -1.078200    
 H    2.279400       5.289900       1.862200    
 H   -7.450400      0.4235000      -1.017500    
 H   -5.249900       2.710800       1.895200    
 H    5.175100       6.602300      0.2191000    
 H   -7.422900       2.946800       1.520600    


%chk=000022937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022937

0 1
O 3.162323 -1.064108 -0.128861
O -2.106544 -2.833255 -0.122419
O 3.989199 -3.410185 0.061981
O 3.465788 -6.072475 0.234199
O 4.489588 6.606685 0.354279
O -7.885316 2.312748 0.325522
N 2.392571 1.377339 -0.208694
N -2.965379 -0.437813 -0.192647
C 0.796978 -0.479713 -0.163463
C -0.575989 -0.950285 -0.158515
C 1.585762 -2.862942 -0.004455
C 0.237559 -3.344273 0.001551
C 1.082565 0.934337 -0.231279
C -1.654742 0.002903 -0.219328
C 1.880824 -1.441528 -0.101217
C -0.877520 -2.389460 -0.093831
C -0.019635 1.843557 -0.399259
C -1.330178 1.395911 -0.394518
C 2.660475 -3.791944 0.070388
C -0.003366 -4.736678 0.087097
C 2.396141 -5.187884 0.159320
C 1.066068 -5.654611 0.168428
C 2.874015 2.708753 -0.086795
C -4.154169 0.324520 -0.056794
C 4.074410 3.050352 -0.764791
C 2.259446 3.683866 0.748996
C -5.326332 -0.142585 -0.716800
C -4.252586 1.474417 0.772736
C 4.637638 4.334725 -0.631740
C 2.810657 4.971407 0.874571
C -6.553588 0.526418 -0.572414
C -5.478855 2.156618 0.910248
C 3.997774 5.302663 0.180487
C -6.630342 1.686426 0.233996
H 0.187122 2.899637 -0.590572
H -2.139803 2.106103 -0.583062
H -1.040842 -5.081311 0.086936
H 3.079532 0.582115 -0.230653
H -3.013320 -1.496148 -0.212176
H 0.888897 -6.731616 0.237262
H 4.558667 2.306284 -1.406258
H 1.373380 3.422382 1.335204
H -5.261819 -1.033286 -1.351000
H -3.385006 1.812275 1.347599
H 3.969903 -2.360712 -0.015675
H 4.309844 -5.542689 0.210776
H 5.564421 4.580580 -1.165673
H 2.348303 5.723194 1.520606
H -7.455765 0.172454 -1.079178
H -5.537981 3.038717 1.561038
H 5.325834 6.743244 -0.156237
H -7.844607 3.105066 0.916385


