%chk=000104751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104751

0 1
 O   -1.310000       1.056000     -0.1944000    
 O    1.282800      0.3671000     -0.9981000    
 O   -3.831500      -1.929300      -3.342800    
 O   -2.577200      -2.775500       2.990000    
 O    4.364800       3.279800       1.633900    
 O    2.221200      -3.283900       1.722900    
 O   -5.325700      -1.402300      -1.713500    
 O   -1.344400      -1.378700       1.688700    
 O    2.301400       2.400000       1.269200    
 O    4.331600      -2.443900       1.795500    
 N   -3.411000     -0.7975000      7.2400004E-02
 N    3.426000     -5.7700001E-02  0.7815000    
 C   -3.610400      0.5822000      0.2962000    
 C    3.604300     -0.1348000     -0.6170000    
 C   -2.555100       1.484000      0.1584000    
 C    2.531400      7.8500003E-02  -1.482700    
 C   -2.969400      -1.273000      -1.222800    
 C   -3.659000      -1.754700       1.131000    
 C    4.171600      0.9079000       1.562700    
 C    2.485200     -0.9337000       1.449300    
 C  -0.4972000       1.966600     -0.9315000    
 C   0.4500000       1.179500      -1.816500    
 C   -4.877000       1.041100      0.6580000    
 C    4.867600     -0.4273000      -1.131100    
 C   -2.766700       2.844500      0.3821000    
 C    2.722100     -3.9999999E-04  -2.862300    
 C   -5.088300       2.401600      0.8818000    
 C    5.058100     -0.5063000      -2.510700    
 C   -4.033200       3.303200      0.7440000    
 C    3.985300     -0.2930000      -3.376200    
 C   -4.168000      -1.537400      -2.088100    
 C   -2.405500      -1.935900       1.938100    
 C    3.500200       2.247800       1.465000    
 C    3.126000      -2.274300       1.667000    
 H   -2.333500     -0.5515000      -1.743100    
 H   -2.407900      -2.208200      -1.118200    
 H   -4.462600      -1.428000       1.799500    
 H   -3.939600      -2.727800      0.7123000    
 H    5.204800      0.9931000       1.209000    
 H    4.210600      0.6247000       2.620500    
 H    1.565300      -1.074200      0.8752000    
 H    2.195700     -0.5369000       2.429100    
 H   -1.097500       2.611800      -1.585100    
 H   7.1400002E-02   2.577500     -0.2226000    
 H    1.030400       1.903500      -2.401900    
 H  -0.1220000      0.5273000      -2.486300    
 H   -5.713900      0.3551000      0.7610000    
 H    5.713200     -0.6088000     -0.4727000    
 H   -1.969300       3.578600      0.3164000    
 H    1.910800      0.1277000      -3.572600    
 H   -6.074700       2.759100       1.162800    
 H    6.040700     -0.7384000      -2.911000    
 H   -4.197000       4.361600      0.9247000    
 H    4.132700     -0.3623000      -4.450100    
 H   -4.622400      -2.091600      -3.900000    
 H   -1.753900      -2.879800       3.513000    
 H    3.913400       4.148700       1.574800    
 H    2.651200      -4.152900       1.872000    


%chk=000104751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104751

0 1
O -1.644918 1.152018 -1.405848
O 1.178463 1.074824 -1.561651
O -3.209676 -2.914387 -2.635250
O -2.858590 -1.479326 3.937863
O 5.154499 1.298239 2.943387
O 0.424189 -2.944806 0.604510
O -4.591456 -2.488668 -0.814399
O -1.037841 -0.462241 2.925264
O 3.938824 2.536384 1.395211
O 2.721407 -2.779718 0.864541
N -2.527184 -0.845457 0.376698
N 2.617321 0.071779 0.562364
C -3.132557 0.443903 0.376575
C 3.244461 0.193324 -0.712090
C -2.687505 1.483398 -0.508243
C 2.503736 0.684090 -1.838621
C -2.276736 -1.555124 -0.879745
C -2.714635 -1.702688 1.549543
C 3.445200 0.110387 1.764739
C 1.371441 -0.692878 0.665709
C -0.865392 2.256215 -1.980076
C 0.376077 1.665252 -2.631732
C -4.146041 0.780627 1.314709
C 4.614414 -0.112308 -0.913634
C -3.261275 2.771655 -0.458698
C 3.100737 0.786741 -3.112997
C -4.704539 2.075811 1.375726
C 5.224962 0.027919 -2.179959
C -4.270155 3.075787 0.483605
C 4.466431 0.460458 -3.286275
C -3.491576 -2.335900 -1.387433
C -2.093522 -1.118474 2.820013
C 4.160375 1.448628 1.956344
C 1.623824 -2.201502 0.720370
H -1.964637 -0.841485 -1.658351
H -1.438114 -2.265019 -0.746949
H -3.770003 -1.969075 1.751006
H -2.174392 -2.649693 1.361617
H 4.194979 -0.704652 1.833014
H 2.787424 -0.018323 2.645717
H 0.708722 -0.453967 -0.182384
H 0.794243 -0.407297 1.567240
H -1.460333 2.792843 -2.748420
H -0.574563 2.960990 -1.177575
H 0.934663 2.482510 -3.134013
H 0.107823 0.895449 -3.383546
H -4.518224 0.016025 2.002348
H 5.209425 -0.486839 -0.075121
H -2.914225 3.551832 -1.143046
H 2.519511 1.138286 -3.971228
H -5.484013 2.291822 2.113986
H 6.284710 -0.221064 -2.299599
H -4.699533 4.082240 0.516885
H 4.925589 0.552577 -4.276114
H -4.004198 -3.426713 -2.948586
H -2.416284 -1.142694 4.764344
H 5.588834 2.179732 3.102092
H 0.655732 -3.912947 0.662863


