%chk=000110027.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110027

0 1
 O  -0.5432000      -3.501900      6.9999998E-04
 O   -1.227100       2.469800     -2.4000001E-03
 O   -2.927700      -2.595300     -1.7000000E-03
 O   -3.608600       3.375300      1.6000000E-03
 O    7.543600       1.734900     -3.0000001E-04
 N    1.239700       1.776200      1.7000000E-03
 N   -5.416400      -1.888700      9.9999997E-05
 C  -0.6447000      0.1853000      3.9999999E-04
 C   -1.096600      -1.136000       0.000000    
 C   -3.505700     -0.3123000     -3.0000001E-04
 C   -3.053900       1.009100     -9.9999997E-05
 C   0.7293000      0.4535000      8.9999998E-04
 C    1.645000     -0.5990000      1.1000000E-03
 C   -1.607000       1.306200     -3.0000001E-04
 C   -2.543500      -1.433100     -6.0000003E-04
 C  -0.1742000      -2.189200      9.9999997E-05
 C    1.194200      -1.917500      5.0000002E-04
 C    3.077300     -0.3626000      5.0000002E-04
 C   -4.879800     -0.5804000     -3.0000001E-04
 C   -3.976200       2.062300      9.9999997E-05
 C   -5.795500      0.4722000       0.000000    
 C   -5.344700       1.790600      9.9999997E-05
 C    3.760000     -0.2493000      -1.207700    
 C    3.761100     -0.2503000       1.208200    
 C    5.825000      9.0999998E-02 -6.0000003E-04
 C    5.136200     -2.2000000E-02  -1.208200    
 C    5.137300     -2.3100000E-02   1.207700    
 C    7.296200      0.3342000     -1.1000000E-03
 H    1.910300      -2.737500      6.0000003E-04
 H   -6.866000      0.2814000      1.9999999E-04
 H   -6.074900       2.595900      6.0000003E-04
 H    2.234100       1.955100      2.7000001E-03
 H   0.6118000       2.567100      2.6000000E-03
 H    3.237500     -0.3341000      -2.157500    
 H    3.239400     -0.3359000       2.158400    
 H    5.660300      6.7199998E-02  -2.156100    
 H    5.662400      6.5099999E-02   2.155200    
 H   -4.811000      -2.696900     -1.0000000E-03
 H   -6.419200      -2.022100     -7.9999998E-04
 H   0.2491000      -4.065600      8.9999998E-04
 H   -4.402000       3.937600      1.7000000E-03
 H    7.774500     -0.1044000      0.8810000    
 H    7.775300     -0.1072000     -0.8818000    
 H    7.005200       2.140300     -0.7013000    


%chk=000110027-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000110027

0 1
O -0.587726 -3.511644 -0.389675
O -1.289306 2.568311 0.107380
O -3.034868 -2.665016 -0.196476
O -3.727334 3.419972 0.290651
O 7.894292 1.557325 0.542168
N 1.140502 1.842353 -0.021687
N -5.476096 -1.933852 -0.039985
C -0.716667 0.230768 -0.046074
C -1.172921 -1.133852 -0.145822
C -3.594578 -0.333304 0.004078
C -3.145310 1.034598 0.086809
C 0.698230 0.539666 -0.058380
C 1.654849 -0.540864 -0.140563
C -1.692013 1.340085 0.052432
C -2.624609 -1.440863 -0.117956
C -0.204021 -2.169467 -0.272181
C 1.178814 -1.851532 -0.264147
C 3.127873 -0.299566 -0.106471
C -5.007007 -0.640988 0.038223
C -4.112133 2.075588 0.204201
C -5.939678 0.436665 0.156771
C -5.498899 1.754792 0.237137
C 3.974702 -0.884293 -1.086540
C 3.734530 0.470122 0.927843
C 5.971911 0.053788 -0.002258
C 5.373532 -0.704538 -1.037935
C 5.132647 0.641779 0.978964
C 7.483016 0.225486 0.069787
H 1.912006 -2.668269 -0.316622
H -7.012410 0.213627 0.183402
H -6.234528 2.565683 0.327827
H 2.134965 2.046442 -0.094920
H 0.396005 2.564929 0.028185
H 3.526877 -1.458065 -1.906085
H 3.108696 0.899487 1.718460
H 6.003078 -1.154452 -1.815970
H 5.589139 1.224870 1.786256
H -4.754363 -2.672463 -0.124972
H -6.476175 -2.119674 -0.013129
H 0.224691 -4.078685 -0.459011
H -4.538552 3.986697 0.375240
H 7.922336 -0.458127 0.818084
H 7.940468 -0.010627 -0.914566
H 7.502935 2.243005 -0.056972


