%chk=000049031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049031

0 1
 O   0.9536000      0.4688000     -0.9442000    
 O   0.9899000       2.126600      0.6526000    
 O   -5.213800      0.7609000     -1.5699999E-02
 N    4.440000     -0.4531000     -5.5799998E-02
 C    5.023700      -1.700100      0.4902000    
 C    6.563600      -1.640600      0.4318000    
 C    4.927300      0.7285000      0.6778000    
 C    7.113200     -0.4148000       1.149500    
 C    6.448600      0.8456000      0.6181000    
 C    2.974400     -0.4619000     -3.3000000E-02
 C    4.564700      -2.951700     -0.2715000    
 C    2.376500      0.5182000      -1.045200    
 C    2.747700      0.1906000      -2.486000    
 C   0.3927000       1.329700     -5.4400001E-02
 C   -1.084300       1.178900     -4.3600000E-02
 C   -1.859800       1.970500      0.8038000    
 C   -1.696600      0.2466000     -0.8810000    
 C   -7.067000     -0.7053000      0.3992000    
 C   -3.859700      0.8970000     -2.3800001E-02
 C   -3.247400       1.829600      0.8137000    
 C   -3.084300      0.1056000     -0.8712000    
 C   -5.738500     -0.5300000     -0.3227000    
 C   -7.679600      -2.076100      0.1272000    
 C   -8.984800      -2.263400      0.8841000    
 H    4.723800      -1.816000       1.541200    
 H    6.992300      -2.540900      0.8887000    
 H    6.897400      -1.626500     -0.6145000    
 H    4.521200       1.651300      0.2514000    
 H    4.607700      0.6919000       1.728000    
 H    6.927000     -0.5047000       2.226700    
 H    8.198600     -0.3541000       1.013500    
 H    6.765000       1.020700     -0.4180000    
 H    6.777300       1.711700       1.203800    
 H    2.590100     -0.2639000      0.9769000    
 H    2.559200      -1.440200     -0.2935000    
 H    4.659400      -2.817500      -1.354900    
 H    5.173800      -3.819300      7.6000001E-03
 H    3.529700      -3.221500     -4.2700000E-02
 H    2.718400       1.542400     -0.8590000    
 H    2.241100      0.8762000      -3.174300    
 H    3.825500      0.2659000      -2.657300    
 H    2.419400     -0.8198000      -2.754300    
 H   -1.402200       2.702700       1.463600    
 H   -1.132300     -0.3854000      -1.560800    
 H   -6.914200     -0.5652000       1.476800    
 H   -7.758200      8.8600002E-02  8.9299999E-02
 H   -5.885200     -0.6075000      -1.406200    
 H   -5.064300      -1.328500      1.3500000E-02
 H   -3.846600       2.448800       1.475600    
 H   -3.523100     -0.6117000      -1.558500    
 H   -7.864700      -2.194600     -0.9468000    
 H   -6.978300      -2.864400      0.4245000    
 H   -9.406800      -3.251000      0.6735000    
 H   -9.721100      -1.509100      0.5887000    
 H   -8.826600      -2.185000       1.964500    


%chk=000049031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049031

0 1
O 1.000615 -0.044880 -0.925025
O 1.101962 1.779580 0.535066
O -5.199480 0.324115 0.724154
N 4.641180 -0.415780 0.004690
C 5.567355 -1.536542 0.366584
C 7.032828 -1.049213 0.211456
C 4.882142 0.793660 0.844012
C 7.331261 0.223048 1.031909
C 6.314385 1.328181 0.676634
C 3.194054 -0.743957 -0.019009
C 5.352553 -2.787138 -0.512189
C 2.484076 0.060819 -1.137622
C 2.761504 -0.469258 -2.541322
C 0.430592 0.881730 -0.041339
C -1.033085 0.682276 0.114215
C -1.747238 1.560999 0.976269
C -1.737081 -0.345871 -0.561193
C -7.443769 -0.546669 0.491698
C -3.826619 0.382492 0.475686
C -3.129267 1.415807 1.157249
C -3.126485 -0.502355 -0.387322
C -5.990923 -0.726197 0.048379
C -8.380311 -1.601151 -0.143225
C -9.849275 -1.419534 0.295432
H 5.418060 -1.825218 1.442490
H 7.711337 -1.870670 0.514177
H 7.211922 -0.846992 -0.863796
H 4.144399 1.566905 0.565095
H 4.703833 0.558807 1.926601
H 7.256799 -0.008481 2.114954
H 8.367260 0.565510 0.846312
H 6.460399 1.649651 -0.372804
H 6.454159 2.215480 1.323716
H 2.702624 -0.514459 0.954847
H 3.044659 -1.817114 -0.219903
H 5.352666 -2.504850 -1.581186
H 6.178756 -3.501364 -0.342269
H 4.411829 -3.321605 -0.292708
H 2.754423 1.128182 -1.047916
H 2.296442 0.171652 -3.309765
H 3.854167 -0.483198 -2.698941
H 2.371959 -1.496913 -2.658150
H -1.192522 2.351367 1.492135
H -1.185782 -1.018815 -1.223817
H -7.493295 -0.614165 1.595310
H -7.780302 0.471128 0.216394
H -5.891402 -0.612958 -1.051283
H -5.604089 -1.724746 0.340680
H -3.694364 2.082452 1.815234
H -3.648527 -1.302567 -0.919150
H -8.315101 -1.538112 -1.248693
H -8.035468 -2.618284 0.133879
H -10.503996 -2.180881 -0.165918
H -10.229631 -0.423086 0.002707
H -9.948790 -1.507319 1.393480


