%chk=000152186.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152186

0 1
 O   -4.899600      -2.568500     -1.9999999E-04
 C   0.6636000      0.4261000     -8.9999998E-04
 C  -0.6185000      0.9549000     -6.9999998E-04
 C   0.9507000     -0.9274000     -1.1000000E-03
 C    1.821300       1.183700     -3.9999999E-04
 C   -1.692300      5.0799999E-02 -3.0000001E-04
 C    2.401400      -1.062600     -6.9999998E-04
 C    2.945700      0.2579000       0.000000    
 C  -0.7597000       2.349600     -1.9999999E-04
 C   -1.435200      -1.353900     -5.0000002E-04
 C  -9.7599998E-02  -1.835000     -1.1000000E-03
 C   -2.998800      0.5734000      3.9999999E-04
 C    1.712800       2.563100     -1.9999999E-04
 C   0.4238000       3.142900     -9.9999997E-05
 C   -2.071500       2.849600       0.000000    
 C   -3.172100       1.974700      3.9999999E-04
 C   -2.538500      -2.217300      3.0000001E-04
 C    3.222200      -2.173700     -1.9999999E-04
 C    4.311000      0.4682000      1.6000000E-03
 C   -4.071500     -0.3302000      1.1000000E-03
 C   -3.841500      -1.709400      1.1000000E-03
 C    4.603700      -1.959800      3.0000001E-04
 C    5.140700     -0.6570000      1.2000001E-03
 H   0.1026000      -2.903300     -1.0000000E-03
 H    2.592100       3.199000      9.9999997E-05
 H   0.3423000       4.228700      1.9999999E-04
 H   -2.250400       3.922400      3.0000001E-04
 H   -4.174100       2.400000      7.9999998E-04
 H   -2.381600      -3.294500     -9.9999997E-05
 H    2.820700      -3.180900     -5.0000002E-04
 H    4.735600       1.465900      2.4999999E-03
 H   -5.095600      3.8199998E-02  1.3000000E-03
 H    5.277900      -2.812700      3.0000001E-04
 H    6.220100     -0.5269000      2.0000001E-03
 H   -4.565300      -3.481800     -5.0000002E-04


%chk=000152186-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152186

0 1
O -5.033668 -2.549957 -0.000297
C 0.688816 0.427627 0.000129
C -0.610277 0.956738 0.000144
C 0.975109 -0.987969 0.000025
C 1.866728 1.216724 0.000267
C -1.710501 0.047973 0.000041
C 2.457030 -1.086671 0.000126
C 2.999356 0.257030 0.000333
C -0.771149 2.386287 0.000262
C -1.458794 -1.378481 -0.000053
C -0.089206 -1.882292 -0.000087
C -3.048919 0.573579 0.000045
C 1.715870 2.625259 0.000408
C 0.410757 3.190089 0.000397
C -2.130170 2.888605 0.000245
C -3.214310 2.019313 0.000139
C -2.582028 -2.249607 -0.000114
C 3.317734 -2.198973 0.000092
C 4.392421 0.457550 0.000482
C -4.139969 -0.330905 -0.000025
C -3.895937 -1.723075 -0.000055
C 4.720304 -1.985411 0.000212
C 5.250522 -0.672086 0.000396
H 0.066009 -2.968018 -0.000137
H 2.587053 3.290040 0.000555
H 0.304315 4.281723 0.000513
H -2.298430 3.972122 0.000333
H -4.235066 2.419729 0.000152
H -2.425350 -3.337059 -0.000247
H 2.918756 -3.219663 -0.000070
H 4.815148 1.468317 0.000576
H -5.175128 0.024327 -0.000030
H 5.400857 -2.844060 0.000179
H 6.336825 -0.528270 0.000485
H -4.780309 -3.506337 -0.000223


