%chk=000134282.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134282

0 1
 O   0.8778000     -0.1752000      0.3872000    
 O   -2.666900     -0.4856000      7.2999999E-02
 O   -1.370200      0.8399000       1.447800    
 N   -7.503900     -0.6656000     -0.1042000    
 C    3.297000     -0.2435000      0.4273000    
 C   -6.363800     -2.2500001E-02  0.5376000    
 C   -5.058400     -0.5671000     -3.3000000E-02
 C    2.009800     -0.7811000     -0.2284000    
 C   -8.691800     -0.5787000      0.7471000    
 C   -7.770100     -5.9400000E-02  -1.410100    
 C    4.507800      -1.144900      0.2252000    
 C    3.596800       1.197200      2.8000001E-02
 C   -3.847500      7.1000002E-02  0.6344000    
 C   -9.102800      0.8669000      0.9702000    
 C   -8.914400     -0.7637000      -2.119200    
 C    5.516100      -1.184700       1.188300    
 C    4.378400       1.460900      -1.096900    
 C    4.608500      -1.931100     -0.9227000    
 C    3.089100       2.251600      0.7871000    
 C  -0.3361000     -0.6931000     -0.1199000    
 C   -1.484300     -8.8999998E-03  0.5740000    
 C    6.625100      -2.010400       1.003400    
 C    4.652600       2.778800      -1.462500    
 C    5.717400      -2.756800      -1.107400    
 C    3.363100       3.569500      0.4215000    
 C    6.725600      -2.796400     -0.1443000    
 C    4.144900       3.833000     -0.7034000    
 H    3.107500     -0.2402000       1.512100    
 H   -6.358300     -0.2402000       1.614100    
 H   -6.383700       1.069800      0.4329000    
 H   -4.980900     -0.3940000      -1.112500    
 H   -5.009100      -1.656200      9.7999997E-02
 H    1.990000     -0.5696000      -1.304800    
 H    1.935600      -1.865800     -7.9800002E-02
 H   -9.528300      -1.162000      0.3481000    
 H   -8.476500      -1.044500       1.717700    
 H   -7.946300       1.021600      -1.374500    
 H   -6.893300     -0.1918000      -2.054200    
 H   -3.854900       1.154700      0.4677000    
 H   -3.865400     -0.1263000       1.712700    
 H   -8.316100       1.483400       1.413800    
 H   -9.473000       1.356900      6.5499999E-02
 H   -9.937200      0.8848000       1.682100    
 H   -8.792500      -1.852300      -2.103100    
 H   -9.891300     -0.5105000      -1.696700    
 H   -8.938400     -0.4557000      -3.170700    
 H    5.450900     -0.5764000       2.086500    
 H    4.773600      0.6718000      -1.727600    
 H    3.850400      -1.914300      -1.699700    
 H    2.477500       2.061100       1.665000    
 H  -0.3974000      -1.767700      8.1299998E-02
 H  -0.4054000     -0.4923000      -1.194200    
 H    7.410600      -2.040700       1.752900    
 H    5.256800       2.984600      -2.341200    
 H    5.798000      -3.366300      -2.002700    
 H    2.967300       4.390600       1.012000    
 H    7.589600      -3.438500     -0.2887000    
 H    4.357000       4.859100     -0.9890000    


%chk=000134282-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134282

0 1
O 0.996039 -0.522520 0.594009
O -2.610135 -0.556602 0.223738
O -1.246752 0.822583 1.528569
N -7.547076 -0.407078 -0.092001
C 3.409024 -0.409807 0.473803
C -6.348678 0.176744 0.559136
C -5.036127 -0.490412 0.081570
C 2.148183 -1.090984 -0.117232
C -8.761604 -0.378095 0.764499
C -7.746964 0.087670 -1.478528
C 4.673940 -1.224739 0.204219
C 3.508379 1.060005 0.015420
C -3.820590 0.127224 0.772749
C -9.363953 1.022166 1.070349
C -8.781449 -0.728811 -2.275351
C 5.706046 -1.255673 1.176840
C 4.451084 1.485944 -0.954683
C 4.870009 -1.939908 -1.006282
C 2.612280 2.018859 0.560947
C -0.271364 -0.869656 -0.014633
C -1.377396 -0.090287 0.691196
C 6.897464 -1.980202 0.952944
C 4.496130 2.835874 -1.374410
C 6.059042 -2.669755 -1.234337
C 2.658054 3.366627 0.141631
C 7.078614 -2.692467 -0.255778
C 3.600166 3.782416 -0.828402
H 3.237167 -0.402928 1.568972
H -6.446257 0.021758 1.651762
H -6.278122 1.283988 0.401983
H -4.919553 -0.379180 -1.012297
H -5.088484 -1.572610 0.295077
H 2.056150 -0.891901 -1.207610
H 2.187223 -2.189425 0.047660
H -9.533960 -1.009794 0.288543
H -8.501081 -0.877539 1.717568
H -8.031579 1.171057 -1.499025
H -6.773398 0.015236 -1.997612
H -3.728669 1.212036 0.575647
H -3.836320 -0.022494 1.868597
H -8.630977 1.675697 1.578110
H -9.696789 1.533080 0.148634
H -10.242827 0.920286 1.733863
H -8.524429 -1.802443 -2.244866
H -9.805583 -0.606402 -1.879506
H -8.792805 -0.399633 -3.330607
H 5.571954 -0.704278 2.115555
H 5.163763 0.767352 -1.373665
H 4.095227 -1.927938 -1.782171
H 1.865860 1.698073 1.294877
H -0.491584 -1.956194 0.063143
H -0.293121 -0.602355 -1.094878
H 7.680557 -1.991851 1.719502
H 5.235474 3.147293 -2.121631
H 6.189773 -3.217429 -2.174743
H 1.957466 4.090703 0.573250
H 8.000731 -3.257784 -0.431270
H 3.638428 4.829702 -1.149745


