%chk=000177015.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177015

0 1
 O   -1.051300      -3.223200      0.2508000    
 O   -2.627000       3.344900     -0.4515000    
 O   -4.225600       2.245600      -1.874400    
 O    4.682500       2.005700      1.9800000E-02
 O    4.634400      0.7470000      -2.032800    
 O   0.5898000      -4.783600     -0.2058000    
 N  -0.1175000       1.128800       2.347000    
 C  -0.7394000     -0.9741000       1.266200    
 C   0.4816000     -8.5100003E-02   1.765800    
 C  -0.1075000      -2.199700      0.5417000    
 C   -1.714300     -0.1400000      0.3974000    
 C    1.585200      0.1059000      0.7059000    
 C   0.6127000      -1.777900     -0.7333000    
 C   -1.549300      -1.479300       2.490300    
 C    1.616400     -0.6863000     -0.4775000    
 C   -1.674900       1.273200      0.4531000    
 C  -0.7224000       2.008800       1.356700    
 C   -2.692600     -0.7538000     -0.4254000    
 C    2.647700       1.004200      0.9253000    
 C   0.6217000       1.830200       3.378200    
 C   -2.548400       1.986400     -0.3593000    
 C    2.612300     -0.4885000      -1.455100    
 C    3.616400       1.161900     -4.7400001E-02
 C   -3.463800       1.364300      -1.172400    
 C   -3.566900     -5.4000001E-03  -1.220300    
 C    3.592700      0.4445000      -1.212900    
 C  -0.5409000      -4.337500     -0.3460000    
 C   -3.686600       3.500300      -1.415600    
 C    5.320800       1.741900      -1.246300    
 C   -1.585700      -4.959400      -1.222200    
 H   0.9653000     -0.6531000       2.574700    
 H   0.6243000      -2.641300       1.235900    
 H  -9.8200001E-02  -1.446100      -1.499500    
 H    1.146000      -2.626700      -1.175400    
 H  -0.9116000      -2.053100       3.172300    
 H   -1.989900     -0.6546000       3.062000    
 H   -2.378200      -2.130400       2.189100    
 H   3.9099999E-02   2.509800      0.7467000    
 H   -1.290900       2.787200       1.881800    
 H   -2.799000      -1.832600     -0.4585000    
 H    2.742200       1.570000       1.841300    
 H    1.330100       2.561200       2.980000    
 H    1.156900       1.137100       4.035600    
 H  -7.7200003E-02   2.382800       4.016700    
 H    2.623100      -1.074700      -2.368800    
 H   -4.301300     -0.4968000      -1.848500    
 H   -3.298200       4.053000      -2.278700    
 H   -4.494300       4.083700     -0.9588000    
 H    6.343900       1.396700      -1.058500    
 H    5.363300       2.675200      -1.819600    
 H   -1.880800      -4.254200      -2.003300    
 H   -2.449700      -5.250500     -0.6195000    
 H   -1.174700      -5.854400      -1.697800    


%chk=000177015-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177015

0 1
O -0.997988 -3.257842 -0.280712
O -2.567454 3.470454 -0.248321
O -4.074807 2.574758 -1.882214
O 4.585278 2.349911 0.044477
O 4.721384 1.207081 -2.062986
O -0.063144 -4.852779 1.157849
N -0.037871 0.889557 2.314572
C -0.682708 -1.091126 0.986881
C 0.516494 -0.268963 1.596519
C -0.005842 -2.223736 0.162037
C -1.579376 -0.145464 0.160362
C 1.599572 0.076474 0.537227
C 0.708845 -1.705686 -1.085470
C -1.506984 -1.713351 2.145449
C 1.691034 -0.601875 -0.711906
C -1.546425 1.264059 0.414105
C -0.665515 1.904803 1.471270
C -2.485149 -0.663196 -0.805263
C 2.547983 1.095996 0.859373
C 0.551412 1.354233 3.570241
C -2.399891 2.057926 -0.358341
C 2.715067 -0.274567 -1.650440
C 3.529956 1.405272 -0.076817
C -3.284749 1.535801 -1.316261
C -3.356970 0.163430 -1.561513
C 3.611892 0.735149 -1.314203
C -0.914048 -4.533705 0.298196
C -3.451149 3.829264 -1.388332
C 5.240021 2.367735 -1.290032
C -1.997288 -5.430268 -0.262029
H 0.987540 -0.916735 2.364956
H 0.708889 -2.741891 0.831843
H -0.040224 -1.326739 -1.806555
H 1.243371 -2.538011 -1.580121
H -0.915985 -2.474654 2.689993
H -1.799508 -0.917395 2.850282
H -2.422028 -2.195088 1.760483
H 0.075976 2.579403 0.971121
H -1.287196 2.563682 2.110487
H -2.506177 -1.742820 -0.974332
H 2.510222 1.620153 1.815584
H 1.349176 2.129401 3.458592
H 0.990838 0.497807 4.111852
H -0.233764 1.795726 4.216530
H 2.791094 -0.805287 -2.604052
H -4.052383 -0.252846 -2.294406
H -2.834192 4.268530 -2.196452
H -4.241188 4.506937 -1.031419
H 6.326977 2.252464 -1.157772
H 4.964215 3.301591 -1.815646
H -2.026300 -5.361930 -1.362088
H -2.983085 -5.104564 0.116371
H -1.817552 -6.469080 0.050232


