%chk=000040209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040209

0 1
 O   -1.373700      0.5611000      0.8945000    
 O    2.066400      0.6638000     -5.9999999E-02
 O   -1.055500      -2.341500     -0.7513000    
 O   -1.919100      -2.749900       1.343100    
 O    1.043200     -8.4600002E-02   1.869100    
 N    5.735300      0.3113000     -5.7700001E-02
 C   -3.141100       2.707700      0.3195000    
 C   -3.456400       1.287700     -1.8100001E-02
 C   -2.565400      0.2627000      0.2791000    
 C    4.404900      0.6492000     -0.5624000    
 C   -2.869600      -1.055800     -3.9500002E-02
 C    5.817800      -1.115800      0.2508000    
 C    6.761000      0.6838000      -1.031400    
 C   -4.667900      0.9901000     -0.6422000    
 C   -3.052400       3.602400     -0.9303000    
 C   -4.141800       3.308300       1.323900    
 C   -4.081000      -1.353500     -0.6636000    
 C    3.337800      0.3039000      0.4641000    
 C   -4.980200     -0.3305000     -0.9650000    
 C    7.174100      -1.474000      0.8340000    
 C    6.690100       2.164500      -1.364000    
 C  -0.2709000      0.8473000      5.7599999E-02
 C   -4.443200      -2.758200      -1.021700    
 C   -1.926900      -2.123200      0.2784000    
 C   0.9927000      0.4134000      0.7527000    
 C  -7.8299999E-02  -3.370000     -0.5594000    
 H   -2.165900       2.778200      0.8129000    
 H    4.186000      0.1432000      -1.512400    
 H    4.300100       1.722800     -0.7534000    
 H    5.108800      -1.395700       1.034000    
 H    5.611200      -1.741200     -0.6267000    
 H    7.761800      0.5212000     -0.6181000    
 H    6.683800      9.5500000E-02  -1.954400    
 H   -5.384300       1.769300     -0.8869000    
 H   -2.325000       3.201100      -1.644700    
 H   -2.731100       4.613300     -0.6565000    
 H   -4.015800       3.688400      -1.444100    
 H   -4.199400       2.694600       2.229800    
 H   -3.830500       4.316000       1.620200    
 H   -5.150700       3.383000      0.9042000    
 H    3.514200      0.8459000       1.401200    
 H    3.288100     -0.7692000      0.6662000    
 H   -5.928200     -0.5446000      -1.451200    
 H    7.134200      -2.480700       1.265800    
 H    7.466200     -0.7873000       1.635900    
 H    7.963600      -1.493000      7.6399997E-02
 H    7.602900       2.464200      -1.891600    
 H    6.619500       2.782600     -0.4622000    
 H    5.855900       2.405700      -2.030100    
 H  -0.2179000       1.926300     -0.1164000    
 H  -0.3416000      0.3183000     -0.8997000    
 H   -3.722500      -3.170400      -1.735600    
 H   -4.468200      -3.388700     -0.1268000    
 H   -5.432800      -2.817900      -1.487600    
 H   0.5353000      -3.429100      -1.462100    
 H   0.5664000      -3.122500      0.2892000    
 H  -0.5709000      -4.334300     -0.4033000    


%chk=000040209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040209

0 1
O -1.306969 0.046161 0.588914
O 2.092026 0.326909 -0.350881
O -1.516349 -2.760147 -0.034009
O -3.115010 -3.152338 1.617054
O 1.227832 -1.187946 1.197439
N 5.833603 0.571025 -0.311477
C -2.522017 2.557620 -0.317827
C -3.258191 1.216033 -0.344489
C -2.638390 0.010810 0.077646
C 4.435837 0.847118 -0.725177
C -3.346882 -1.220820 0.130476
C 6.403163 -0.633367 -0.976803
C 6.720622 1.762868 -0.383781
C -4.610120 1.132322 -0.758104
C -2.346138 3.139324 -1.746297
C -3.243366 3.574109 0.607287
C -4.717519 -1.277466 -0.256133
C 3.471360 0.052429 0.162492
C -5.321007 -0.084096 -0.720613
C 7.512011 -1.310111 -0.148807
C 6.462434 2.770155 0.752656
C -0.257301 -0.050195 -0.437169
C -5.517569 -2.565788 -0.184744
C -2.679715 -2.450314 0.675018
C 1.056323 -0.381608 0.260620
C -0.676269 -3.858057 0.516293
H -1.520243 2.381442 0.114900
H 4.249530 0.599169 -1.796477
H 4.220064 1.923081 -0.605149
H 5.580919 -1.359329 -1.121487
H 6.787710 -0.387790 -1.999117
H 7.764016 1.407686 -0.306807
H 6.633330 2.276775 -1.374447
H -5.121078 2.040218 -1.100120
H -1.808490 2.435439 -2.408116
H -1.775440 4.085907 -1.711337
H -3.326375 3.353510 -2.212097
H -3.348826 3.172604 1.630654
H -2.668925 4.517466 0.662527
H -4.254420 3.817049 0.230433
H 3.533984 0.375772 1.215211
H 3.656546 -1.036098 0.120797
H -6.368326 -0.110619 -1.042017
H 7.884496 -2.213314 -0.667205
H 7.121256 -1.603672 0.840838
H 8.374572 -0.638689 0.012333
H 7.156117 3.627960 0.673567
H 6.609979 2.282995 1.731996
H 5.432679 3.171108 0.723969
H -0.152622 0.898003 -0.996236
H -0.494752 -0.874525 -1.137240
H -5.028352 -3.383997 -0.745262
H -5.612886 -2.912998 0.858931
H -6.527542 -2.420779 -0.603555
H -0.170190 -4.304369 -0.352511
H 0.052121 -3.404637 1.207832
H -1.308150 -4.594798 1.037807


