%chk=000091350.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091350

1 1
 O    4.800400       3.049400     -6.0000003E-04
 O    2.674900       3.598500      1.5000000E-03
 O   -4.629800      -3.197300     -1.1300000E-02
 O   -2.471600      -3.598700      4.9000001E-03
 O    4.647900      -3.193000     -1.5000000E-03
 O    6.129700      -1.573400     -1.6899999E-02
 O   -4.880600       3.100800     -8.6000003E-03
 O   -6.220200       1.361600     -1.8300001E-02
 N  -0.3195000      0.7683000      2.2100000E-02
 N   0.2341000     -0.5435000      1.8900000E-02
 N   0.7345000       1.704700      2.0700000E-02
 N  -0.6590000      -1.553000      1.6100001E-02
 N    3.585000       2.733100     -1.2000001E-03
 N   -3.438000      -2.792200     -1.6000000E-03
 N    4.941500      -1.973900     -8.3999997E-03
 N   -5.072700       1.863200     -1.0500000E-02
 C    1.621200     -0.4581000      5.7000001E-03
 C   -1.658500      0.6295000      1.1300000E-02
 C    1.921000      0.9456000     -8.1000002E-03
 C   -1.871500     -0.8871000      9.9999998E-03
 C    3.230500       1.360400     -5.5999998E-03
 C    2.566100      -1.450700      1.8000000E-03
 C   -2.664000       1.582100      3.8999999E-03
 C   -3.180000      -1.404100      1.9000000E-03
 C    3.892500      -1.014200     -7.1999999E-03
 C    4.219300      0.3650000     -9.3000000E-03
 C   -3.943700      0.9938000     -4.3000001E-03
 C   -4.189600     -0.4169000     -5.2000000E-03
 H   0.6269000       2.698300     -9.1700003E-02
 H    2.278600      -2.495100      8.2000000E-03
 H   -2.464000       2.644200      5.4000001E-03
 H    5.267000      0.6623000     -1.1600000E-02
 H   -5.222600     -0.7686000     -1.1800000E-02


%chk=000091350-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091350

1 1
O 4.763041 3.189889 -0.004030
O 2.502484 3.557548 -0.011145
O -4.794904 -3.113412 0.006281
O -2.557240 -3.603691 0.003202
O 4.769414 -3.234903 0.003040
O 6.295541 -1.527100 0.001666
O -4.857270 3.201828 -0.007839
O -6.326967 1.445914 -0.003252
N -0.287949 0.700537 -0.010572
N 0.253816 -0.605384 -0.006688
N 0.748531 1.614048 -0.005761
N -0.677482 -1.579688 0.000984
N 3.557760 2.786490 -0.006954
N -3.553181 -2.792794 0.003537
N 5.101825 -1.995472 0.001483
N -5.149343 1.950257 -0.003442
C 1.657103 -0.504687 -0.004082
C -1.664579 0.575781 -0.005151
C 1.938364 0.897983 -0.004949
C -1.880210 -0.867178 -0.001800
C 3.280882 1.335998 -0.004645
C 2.659195 -1.484845 -0.002127
C -2.701796 1.525942 -0.005865
C -3.230321 -1.330875 0.000112
C 3.979154 -0.994352 -0.001013
C 4.311217 0.383608 -0.002469
C -3.992883 0.987089 -0.003105
C -4.276219 -0.408045 -0.000471
H 0.673340 2.642548 -0.015996
H 2.459204 -2.560619 -0.001228
H -2.562174 2.610832 -0.008899
H 5.362102 0.695644 -0.001754
H -5.314656 -0.757891 0.001632


