%chk=000040695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040695

0 1
 O   -1.254300      0.9685000     -0.6897000    
 O    1.860700       2.032200      0.6977000    
 O  -9.2000000E-02  -1.954700      0.4591000    
 O  -0.6231000      -2.178500      -1.769600    
 O    1.296200       1.353400      -1.435200    
 N    6.165800     -0.1390000      0.2366000    
 C   -3.674400       2.278900      8.5000005E-03
 C   -3.517000      0.7946000      5.0500002E-02
 C   -2.315700      0.1883000     -0.2990000    
 C   -2.180400      -1.194500     -0.2558000    
 C   -4.597600      7.3000002E-03  0.4486000    
 C   -3.975500       2.876800       1.395200    
 C   -4.748300       2.727200     -0.9997000    
 C   -3.261000      -1.981800      0.1422000    
 C   -4.469500      -1.380900      0.4943000    
 C    3.990900      0.9570000      0.4895000    
 C    5.442900       1.113000      4.9100000E-02
 C    3.203700       2.244300      0.2847000    
 C   -3.154000      -3.471100      0.2009000    
 C  -0.9143000      -1.819100     -0.6238000    
 C  -0.3719000       1.409000      0.3231000    
 C    1.001800       1.581700     -0.2697000    
 C    7.552000     -6.8000001E-03 -0.2157000    
 C    5.500900      -1.230400     -0.4776000    
 C    1.186100      -2.555800      0.2246000    
 C    1.948100      -2.619700       1.531100    
 H   -2.748600       2.754300     -0.3322000    
 H   -5.548800      0.4521000      0.7277000    
 H   -4.944400       2.545900       1.784300    
 H   -3.994100       3.970900       1.345400    
 H   -3.205800       2.586700       2.119000    
 H   -4.535400       2.328300      -1.997800    
 H   -4.773900       3.819900      -1.073200    
 H   -5.749700       2.390900     -0.7104000    
 H   -5.321300      -1.979100      0.8068000    
 H    3.469200      0.1802000     -7.8900002E-02
 H    3.933600      0.6559000       1.543400    
 H    5.477900       1.436700     -0.9997000    
 H    5.911900       1.902800      0.6491000    
 H    3.616200       3.040600      0.9139000    
 H    3.258300       2.597500     -0.7520000    
 H   -2.907200      -3.877800     -0.7854000    
 H   -4.094800      -3.935300      0.5165000    
 H   -2.385500      -3.772600      0.9203000    
 H  -0.7104000       2.378100      0.7025000    
 H  -0.3074000      0.6883000       1.145900    
 H    8.112900     -0.9264000     -1.4400000E-02
 H    7.618400      0.2112000      -1.287900    
 H    8.060300      0.7949000      0.3318000    
 H    4.588200      -1.555000      3.0500000E-02
 H    5.272100     -0.9758000      -1.518900    
 H    6.140400      -2.122000     -0.4905000    
 H    1.044500      -3.566800     -0.1729000    
 H    1.743400      -1.953700     -0.5016000    
 H    2.927900      -3.084200       1.390600    
 H    2.088900      -1.614800       1.943000    
 H    1.387900      -3.193500       2.276600    


%chk=000040695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040695

0 1
O -1.365539 0.514988 -0.757000
O 1.784441 1.986613 0.142228
O -0.338220 -2.089215 -0.032267
O -1.693577 -3.194604 -1.573028
O 1.368262 0.417413 -1.542162
N 6.517628 0.448825 0.651660
C -3.480420 2.329671 0.158388
C -3.586060 0.805989 0.259859
C -2.534118 -0.047695 -0.163787
C -2.654842 -1.464006 -0.133896
C -4.755680 0.183588 0.760123
C -3.430898 2.988555 1.563724
C -4.637797 2.923970 -0.687247
C -3.854800 -2.070854 0.338313
C -4.885861 -1.219227 0.802699
C 4.106547 1.109177 0.332062
C 5.571265 1.284955 -0.124578
C 3.191484 2.142738 -0.338349
C -4.038480 -3.577811 0.353770
C -1.553331 -2.327393 -0.678474
C -0.334108 0.926904 0.199578
C 0.993537 1.051754 -0.536251
C 7.921141 0.839218 0.400568
C 6.314431 -1.001590 0.453186
C 0.864687 -2.783363 -0.597867
C 1.934415 -2.787688 0.490017
H -2.538640 2.563704 -0.371621
H -5.587205 0.808062 1.107313
H -4.365295 2.797674 2.124048
H -3.308547 4.083910 1.473653
H -2.592823 2.595431 2.168363
H -4.664272 2.473886 -1.695387
H -4.508378 4.016505 -0.798948
H -5.620147 2.749887 -0.209859
H -5.808414 -1.667081 1.189040
H 3.740962 0.097995 0.076698
H 4.062938 1.223046 1.430556
H 5.643815 1.079204 -1.226621
H 5.869280 2.341936 0.025069
H 3.453390 3.174009 -0.050196
H 3.200796 2.037923 -1.438669
H -4.032568 -3.984936 -0.672562
H -4.992060 -3.849096 0.837005
H -3.221255 -4.085931 0.898622
H -0.584574 1.894834 0.673355
H -0.212117 0.156371 0.986005
H 8.590724 0.257211 1.058709
H 8.248170 0.672347 -0.657870
H 8.058452 1.909761 0.636216
H 5.305473 -1.300596 0.784412
H 6.440562 -1.320813 -0.613700
H 7.045406 -1.558598 1.065665
H 0.568262 -3.800485 -0.908170
H 1.170765 -2.203605 -1.486111
H 2.851243 -3.272294 0.106112
H 2.192461 -1.759237 0.798442
H 1.594290 -3.343837 1.380558


