%chk=000130199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130199

0 1
 O   -3.385900      -1.549500     -0.9943000    
 O   -1.205000      -1.658100       1.861000    
 O   -1.812600      -3.809400      0.3155000    
 O   -6.096100      -2.266500      -1.054900    
 N   -2.446000      0.4631000     -0.1598000    
 N    1.999900       2.117800      9.3300000E-02
 N  -0.1080000       1.110000     -3.3399999E-02
 N   -3.401000       2.477500     -0.1560000    
 N   0.1372000       3.537100      3.8300000E-02
 N   -1.739900       5.020500     -1.3000000E-02
 C    4.933900     -0.2993000      0.2966000    
 C    6.435200     -6.1900001E-02  0.5087000    
 C    4.685000      -1.118000     -0.9774000    
 C   -2.440000      -1.653500       1.174400    
 C   -2.327500     -0.9929000     -0.1912000    
 C   -2.915800      -3.043000      0.7989000    
 C    7.218000      -1.373000      0.5149000    
 C    5.470600      -2.427400     -0.9687000    
 C   -3.863900      -2.759400     -0.3620000    
 C    6.961100      -2.187900     -0.7488000    
 C    4.180500       1.028300      0.2406000    
 C    2.675600      0.8427000      9.6000001E-02
 C   -5.300400      -2.531000      8.7099999E-02
 C   -1.423700       1.366100     -8.9199997E-02
 C   -3.613300       1.178700     -0.1984000    
 C   -2.036800       2.608900     -8.7499999E-02
 C   0.6225000       2.259000      2.9500000E-02
 C   -1.203700       3.721100     -2.0300001E-02
 H    4.557800     -0.8748000       1.153800    
 H    6.826700      0.5873000     -0.2849000    
 H    6.601100      0.4616000       1.457800    
 H    3.627000      -1.378400      -1.080800    
 H    4.963600     -0.5325000      -1.862700    
 H   -3.187500      -1.152400       1.800200    
 H   -1.377400      -1.222400     -0.6892000    
 H   -3.373100      -3.596200       1.624200    
 H    8.289500      -1.161700      0.6057000    
 H    6.933200      -1.963500       1.394500    
 H    5.085000      -3.079400     -0.1751000    
 H    5.318700      -2.955000      -1.917100    
 H   -3.830300      -3.546500      -1.123900    
 H    7.483100      -3.148900     -0.6806000    
 H    7.377100      -1.658600      -1.614900    
 H    4.554700       1.639600     -0.5914000    
 H    4.385800       1.600400       1.155100    
 H    2.304100      0.2245000      0.9222000    
 H    2.437000      0.3349000     -0.8432000    
 H   -5.701800      -3.416100      0.5894000    
 H   -5.390000      -1.672900      0.7605000    
 H  -0.5276000      -2.027500       1.269900    
 H   -1.236900      -3.998300       1.076100    
 H   -4.585800      0.7084000     -0.2519000    
 H    2.544600       2.971600      0.1350000    
 H   -5.727400      -1.480600      -1.493500    
 H   -1.113700       5.812500      3.5999998E-02
 H   -2.740200       5.160500     -5.6899998E-02


%chk=000130199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130199

0 1
O -3.997018 -1.312444 -0.665242
O -0.351506 -1.430354 -0.190899
O -1.640757 -3.490075 -1.279320
O -6.059468 -2.704423 0.634074
N -2.768501 0.722019 -0.479114
N 1.793365 2.039581 0.387412
N -0.360406 1.189369 -0.058229
N -3.605685 2.845605 -0.248816
N 0.043830 3.576608 0.401971
N -1.686188 5.177401 0.428449
C 4.738981 -0.460558 0.455885
C 6.252236 -0.190193 0.667542
C 4.524595 -1.374222 -0.780871
C -1.750606 -1.505845 0.150926
C -2.675821 -0.706856 -0.812777
C -2.268287 -2.948759 -0.076844
C 7.072520 -1.496569 0.769339
C 5.347307 -2.681723 -0.685223
C -3.781461 -2.776305 -0.322243
C 6.851911 -2.394070 -0.471443
C 3.968456 0.879115 0.356091
C 2.436992 0.721765 0.277897
C -4.667092 -3.065612 0.895292
C -1.677668 1.542917 -0.189133
C -3.904198 1.561873 -0.513203
C -2.212031 2.844133 -0.047418
C 0.449975 2.266971 0.236725
C -1.278351 3.881938 0.264944
H 4.364742 -1.008562 1.349839
H 6.630602 0.411238 -0.186824
H 6.398732 0.423628 1.579201
H 3.451634 -1.621919 -0.896257
H 4.826539 -0.815671 -1.693073
H -1.955526 -1.177984 1.192043
H -2.311170 -0.823272 -1.854748
H -2.058332 -3.598439 0.796467
H 8.148196 -1.260705 0.886380
H 6.765915 -2.052370 1.679851
H 4.968792 -3.288293 0.163768
H 5.197991 -3.287500 -1.599914
H -4.099446 -3.366558 -1.198513
H 7.412398 -3.342923 -0.364194
H 7.256196 -1.880680 -1.368806
H 4.324600 1.443003 -0.530823
H 4.217878 1.491955 1.248910
H 2.081814 0.052151 1.088858
H 2.141219 0.250392 -0.678702
H -4.676203 -4.148496 1.106811
H -4.276073 -2.525873 1.785663
H -0.111945 -0.411009 -0.159915
H -0.723519 -3.091588 -1.297882
H -4.892760 1.166930 -0.725898
H 2.353552 2.858766 0.624982
H -6.062042 -1.775153 0.285674
H -0.999241 5.894974 0.648588
H -2.672470 5.408271 0.326941


