%chk=000095970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095970

0 1
 O    3.427200      0.6567000     -0.1236000    
 O    1.403700       2.545800     -3.5599999E-02
 O    2.786600      -2.038200     -0.1541000    
 O   -2.277900      -2.062700     -0.4864000    
 O   -4.857400       1.542300     -0.5627000    
 N   -2.852800     -9.5500000E-02  0.5981000    
 C  -0.5476000     -0.5445000     -3.9700001E-02
 C    2.122400      0.2619000     -9.5799997E-02
 C    1.106300       1.216500     -5.1500000E-02
 C    1.803600      -1.095800     -0.1120000    
 C  -0.2287000      0.8133000     -2.3399999E-02
 C   0.4685000      -1.499100     -8.4100001E-02
 C   -1.939200     -0.9654000     -8.3999997E-03
 C   -4.263500     -0.3819000      0.7281000    
 C   -5.029300      0.1337000     -0.4798000    
 C    4.012300      0.8667000      -1.406800    
 C    1.579100       3.155400       1.241800    
 C    3.286600      -2.509300       1.095700    
 H  -0.9938000       1.584800     -2.1700000E-02
 H   0.2340000      -2.561000     -9.3000002E-02
 H   -4.602600      0.1209000       1.639800    
 H   -4.409300      -1.460500      0.8416000    
 H   -2.528600      0.7630000       1.030200    
 H   -6.097700     -7.6200001E-02 -0.3761000    
 H   -4.673200     -0.3162000      -1.412200    
 H    3.483100       1.658100      -1.946800    
 H    4.001600     -5.8699999E-02  -1.991400    
 H    5.050900       1.176700      -1.262700    
 H    2.405500       2.684600       1.783600    
 H   0.6576000       3.087300       1.828700    
 H    1.818600       4.211100       1.087600    
 H    2.489200      -2.990700       1.670700    
 H    3.721500      -1.686400       1.671900    
 H    4.068200      -3.247300      0.8957000    
 H   -3.905500       1.714700     -0.6626000    


%chk=000095970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095970

0 1
O 3.371951 0.772679 0.023872
O 1.272735 2.723753 0.436789
O 2.606478 -1.998337 -0.282603
O -2.474445 -2.013875 -0.316277
O -5.253018 1.221341 -1.139530
N -3.117116 0.013876 0.606088
C -0.722639 -0.389128 0.145832
C 2.020383 0.370399 0.102790
C 1.009560 1.347655 0.333084
C 1.638878 -0.996212 -0.045227
C -0.349925 0.962753 0.348283
C 0.282830 -1.366647 -0.045209
C -2.153731 -0.862602 0.121158
C -4.541255 -0.371108 0.645935
C -5.235255 -0.187051 -0.718466
C 3.983584 0.580948 -1.318232
C 2.298330 3.151881 1.415333
C 3.571041 -2.213255 0.821970
H -1.080083 1.769763 0.471940
H -0.001288 -2.411471 -0.197713
H -5.043483 0.258425 1.401267
H -4.616555 -1.432574 0.948069
H -2.830115 0.872405 1.075182
H -6.296272 -0.475108 -0.635358
H -4.745415 -0.830980 -1.474693
H 3.464986 1.214959 -2.060082
H 3.930185 -0.480245 -1.618128
H 5.030428 0.902312 -1.209532
H 3.277236 2.704535 1.180280
H 1.985925 2.870120 2.439423
H 2.335172 4.247887 1.324064
H 3.038068 -2.564699 1.725392
H 4.129020 -1.286874 1.048196
H 4.253811 -2.997484 0.461865
H -4.320608 1.496059 -1.332660


