%chk=000135694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135694

0 1
 O   -4.330500      -2.284600     -7.3000002E-03
 O   -2.554400      -3.587000     -7.6000001E-03
 N   -3.098800      -2.467200     -5.5999998E-03
 C  -0.3365000     -0.1296000      1.9999999E-04
 C   -1.423600      0.7399000      2.3000001E-03
 C   0.9966000      0.3782000      1.9999999E-04
 C   -1.345000       2.124500      2.7000001E-03
 C   -2.620500      6.1299998E-02  2.9000000E-03
 C    1.087000       1.813900     -2.6000000E-03
 C    2.250600     -0.3772000      2.3000001E-03
 C  -0.9356000      -1.479200     -3.5999999E-03
 C  -5.2400000E-02   2.653900     -6.0000003E-04
 C   -2.266000      -1.331400     -7.9999998E-04
 C    3.488800      0.3262000     -4.6999999E-03
 C    2.329200       2.446000     -7.8999996E-03
 C   -2.560700       2.838200      4.9999999E-03
 C   -3.822500      0.7459000      5.2000000E-03
 C    3.508700       1.717700     -1.0300000E-02
 C   -3.786100       2.146600      6.6000000E-03
 C    2.369800      -1.790600      1.2900000E-02
 C    4.721400     -0.3504000     -5.1000002E-03
 C    3.600900      -2.458200      1.2800000E-02
 C    4.779700      -1.736900      3.0000000E-03
 H  -0.4001000      -2.408000     -1.1100000E-02
 H   6.7000002E-02   3.737400     -2.0000001E-03
 H    2.402200       3.532800     -1.1000000E-02
 H   -2.561400       3.925200      5.4000001E-03
 H   -4.779200      0.2366000      5.7000001E-03
 H    4.450800       2.263300     -1.5000000E-02
 H   -4.716800       2.708100      8.2000000E-03
 H    1.505300      -2.435300      2.4499999E-02
 H    5.658600      0.2043000     -1.1100000E-02
 H    3.626600      -3.544100      2.1100000E-02
 H    5.737800      -2.246600      3.1000001E-03


%chk=000135694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135694

0 1
O -4.441322 -2.287741 -0.012186
O -2.656142 -3.723533 -0.025186
N -3.162140 -2.528310 -0.016440
C -0.296048 -0.159781 -0.002126
C -1.422482 0.730606 0.003338
C 1.028523 0.396028 0.000006
C -1.353679 2.144202 0.007346
C -2.661820 0.013523 0.001450
C 1.107555 1.865258 -0.003053
C 2.290338 -0.358782 0.004305
C -0.875460 -1.508891 -0.011264
C -0.045176 2.695365 0.001997
C -2.268871 -1.398613 -0.008327
C 3.549472 0.353623 -0.009742
C 2.401135 2.519944 -0.013292
C -2.600423 2.866587 0.012637
C -3.866211 0.726416 0.006833
C 3.571814 1.799475 -0.019937
C -3.813486 2.164439 0.012876
C 2.353710 -1.788243 0.025255
C 4.782173 -0.365587 -0.010152
C 3.573653 -2.477519 0.025930
C 4.803723 -1.764827 0.006179
H -0.379206 -2.475423 -0.023692
H 0.094030 3.783645 0.000745
H 2.420659 3.615541 -0.017177
H -2.595520 3.962510 0.015884
H -4.825413 0.202128 0.005964
H 4.543215 2.306250 -0.030140
H -4.757143 2.720094 0.016976
H 1.440226 -2.377135 0.046007
H 5.720074 0.201830 -0.022207
H 3.576116 -3.572348 0.042871
H 5.755025 -2.307034 0.006123


