%chk=000076587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076587

0 1
 O   -4.148200       1.274700     -0.5382000    
 O  -0.1510000      -2.178600      0.6112000    
 O    2.025400      0.1677000       1.917100    
 N   -1.315800       2.201500     -7.1199998E-02
 N    2.498000     -5.0900001E-02 -0.3708000    
 C   -1.853200      0.9236000     -4.6599999E-02
 C  -0.8303000      3.9200000E-02  0.2482000    
 C   0.3627000      0.7801000      0.4100000    
 C   4.8099998E-02   2.105300      0.2107000    
 C   -3.222700      0.5148000     -0.2777000    
 C   -1.047800      -1.386800      0.3506000    
 C   -3.480000     -0.9530000     -0.1790000    
 C   -2.442500      -1.856500      0.1200000    
 C   -1.937800       3.429800     -0.3221000    
 C   0.8104000       3.309300      0.2383000    
 C    1.676900      0.2904000      0.7228000    
 C   -4.778600      -1.432800     -0.3893000    
 C   -2.715700      -3.227000      0.2048000    
 C   -1.213400       4.560200     -0.2949000    
 C   0.2061000       4.486700     -4.3000001E-03
 C   -5.040700      -2.800500     -0.3027000    
 C   -4.013100      -3.694400     -6.8000001E-03
 C    3.814400     -0.5743000     -0.3714000    
 C    4.448600     -0.8103000      0.8364000    
 C    4.436600     -0.8387000      -1.579500    
 C    5.744600      -1.326200      0.8361000    
 C    5.732600      -1.354700      -1.579700    
 C    6.386500      -1.598400     -0.3719000    
 H   -2.998200       3.442800     -0.5350000    
 H    1.872900       3.271000      0.4541000    
 H   -5.599700     -0.7600000     -0.6217000    
 H   -1.934000      -3.946200      0.4338000    
 H   -1.660200       5.528700     -0.4843000    
 H   0.7685000       5.413900      1.1800000E-02
 H    2.096900      9.1799997E-02  -1.295900    
 H   -6.049100      -3.169900     -0.4665000    
 H   -4.222900      -4.758100      5.9400000E-02
 H    4.020200     -0.6266000       1.810100    
 H    3.936100     -0.6527000      -2.525600    
 H    6.255000      -1.516500       1.775800    
 H    6.232600      -1.566800      -2.520200    
 H    7.395500      -2.000100     -0.3721000    


%chk=000076587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076587

0 1
O -4.234816 1.337126 -0.060296
O 0.222350 -1.980232 -0.387011
O 2.770775 1.879225 0.267582
N -1.455581 2.383741 0.187291
N 2.389218 -0.413361 -0.082304
C -1.840588 1.051805 -0.018957
C -0.653881 0.261913 -0.091218
C 0.489350 1.124113 0.074651
C -0.034139 2.453176 0.248150
C -3.202529 0.574618 -0.134432
C -0.787208 -1.189423 -0.306237
C -3.325790 -0.903178 -0.351342
C -2.170517 -1.739753 -0.432484
C -2.262811 3.508355 0.320541
C 0.571165 3.723501 0.452852
C 1.970284 0.894174 0.094336
C -4.614241 -1.471610 -0.477022
C -2.331410 -3.132916 -0.638414
C -1.660964 4.744536 0.520373
C -0.235443 4.858045 0.587754
C -4.763437 -2.859321 -0.681775
C -3.619383 -3.691688 -0.762528
C 3.719355 -0.904673 -0.107654
C 4.875589 -0.090829 0.059587
C 3.872376 -2.306793 -0.315150
C 6.154117 -0.687700 0.016870
C 5.155409 -2.883950 -0.355018
C 6.307892 -2.077897 -0.189098
H -3.336787 3.325272 0.255866
H 1.661074 3.748903 0.494897
H -5.479355 -0.804413 -0.410666
H -1.432954 -3.754557 -0.696926
H -2.299276 5.625617 0.624553
H 0.224047 5.838176 0.745553
H 1.634871 -1.129535 -0.213381
H -5.764123 -3.293745 -0.778426
H -3.735323 -4.768829 -0.921195
H 4.752158 0.981436 0.217400
H 2.981103 -2.932586 -0.443829
H 7.039457 -0.054723 0.146495
H 5.257349 -3.963105 -0.515442
H 7.306315 -2.527413 -0.220145


