%chk=000097315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097315

0 1
 O    1.486900      -1.530400       1.459900    
 O    3.835300      -2.404500      0.4043000    
 O   -3.683700      -1.925300     -0.2051000    
 O   -4.675600      0.6349000      0.1975000    
 N    1.192100       2.251500     -0.4279000    
 C    1.644800       1.002100      0.1774000    
 C   0.9187000     -0.1766000     -0.4731000    
 C    3.110000       1.008100     -6.4300001E-02
 C    1.603000      -1.465500      3.6899999E-02
 C    2.223400       3.221200     -4.0100001E-02
 C    3.549500       2.437700     -0.1741000    
 C  -0.5743000      1.3700000E-02 -0.2506000    
 C  -0.1677000       2.544400      2.3000000E-02
 C    3.104700      -1.462200     -0.3720000    
 C    3.794900     -0.1172000     -0.3044000    
 C   -1.088000       1.328300     -7.2099999E-02
 C   -1.466600      -1.064500     -0.3060000    
 C   -2.468100       1.516600      8.6599998E-02
 C   -2.838600     -0.8572000     -0.1534000    
 C   -3.337500      0.4281000      4.4799998E-02
 C    3.225600      -3.686900      0.3726000    
 C   -4.197700      -2.282600      -1.486300    
 C   -5.191300      0.5864000       1.526300    
 H    1.482100       1.024400       1.267500    
 H    1.057000     -0.1452000      -1.565700    
 H    1.111700      -2.353700     -0.3740000    
 H    2.098600       3.552000      0.9994000    
 H    2.214300       4.104200     -0.6867000    
 H    4.246700       2.713600      0.6223000    
 H    4.007400       2.621100      -1.152000    
 H  -0.5763000       3.351600     -0.5958000    
 H  -0.1717000       2.878500       1.068900    
 H    3.168100      -1.768300      -1.425900    
 H    4.851200     -6.8099998E-02 -0.5510000    
 H   -1.104300      -2.074400     -0.4762000    
 H   -2.864300       2.517200      0.2444000    
 H   0.5420000      -1.596000       1.678000    
 H    3.971200      -4.411000      0.7159000    
 H    2.932600      -3.973400     -0.6429000    
 H    2.379200      -3.760000       1.059500    
 H   -3.383000      -2.561600      -2.162200    
 H   -4.775200      -1.457000      -1.914200    
 H   -4.859300      -3.144200      -1.361900    
 H   -5.015900     -0.3977000       1.972200    
 H   -6.269400      0.7631000       1.482000    
 H   -4.733700       1.365900       2.143700    


%chk=000097315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097315

0 1
O 1.429824 -1.554840 1.493250
O 3.918200 -2.381209 0.564517
O -3.669792 -1.963742 -0.243787
O -4.699840 0.749653 0.208827
N 1.255456 2.313376 -0.433062
C 1.713967 1.028484 0.134140
C 0.979186 -0.143063 -0.512903
C 3.194335 1.018453 -0.141285
C 1.603508 -1.452514 0.035348
C 2.324242 3.288960 -0.089953
C 3.644601 2.472961 -0.285363
C -0.523068 0.059020 -0.300971
C -0.117849 2.616547 -0.003121
C 3.134978 -1.495211 -0.305101
C 3.850001 -0.152028 -0.311492
C -1.026832 1.381184 -0.095043
C -1.435925 -1.023007 -0.352563
C -2.418330 1.563118 0.078441
C -2.822960 -0.830510 -0.196283
C -3.319608 0.481210 0.047997
C 3.445794 -3.766921 0.565770
C -4.641740 -1.957543 -1.362851
C -5.314831 0.117786 1.399988
H 1.544704 0.987325 1.243705
H 1.193203 -0.098930 -1.601571
H 1.123892 -2.332343 -0.447609
H 2.241748 3.627442 0.974823
H 2.270648 4.181901 -0.737311
H 4.413104 2.762523 0.454129
H 4.068502 2.646639 -1.290869
H -0.534894 3.428462 -0.629324
H -0.140939 2.984525 1.059495
H 3.186229 -1.909186 -1.345799
H 4.924783 -0.200231 -0.524357
H -1.089216 -2.045432 -0.541089
H -2.833534 2.562767 0.252634
H 0.463316 -1.429729 1.685171
H 4.207382 -4.341470 1.116794
H 3.358421 -4.169596 -0.468382
H 2.472102 -3.854318 1.084565
H -4.105305 -1.991664 -2.330134
H -5.285342 -1.060230 -1.324078
H -5.242213 -2.870922 -1.234392
H -5.181449 -0.978866 1.380033
H -6.382792 0.379271 1.351435
H -4.866868 0.532993 2.322835


