%chk=000178229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178229

0 1
 O  -0.2366000       2.520500      -1.211500    
 O  -0.3038000       2.700700      0.9753000    
 N  -0.3783000       2.025300     -7.3200002E-02
 C    1.790000     -1.6400000E-02  5.8499999E-02
 C    2.238800       1.434400      8.1100002E-02
 C    3.716500       1.639500      0.4099000    
 C    2.756300      -1.045100      4.4000000E-03
 C    4.578600      0.6712000     -0.3815000    
 C    4.238600     -0.7608000      1.3600000E-02
 C   0.3982000     -0.3431000      3.7700001E-02
 C   1.3300000E-02  -1.705200      1.3600000E-02
 C    2.344000      -2.381200     -9.3000000E-03
 C  -0.6381000      0.6220000      3.4400001E-02
 C   0.9915000      -2.705700     -3.0000000E-03
 C   -2.000900      0.2718000      2.1100000E-02
 C   -1.347000      -2.059000      2.6000000E-03
 C   -2.359700      -1.089300      7.1000000E-03
 C   -3.012300       1.247700      2.0800000E-02
 C   -3.719200      -1.444400     -5.2999998E-03
 C   -4.358300      0.8811000      8.2000000E-03
 C   -4.711600     -0.4641000     -4.6000001E-03
 H    1.764500       1.968300      0.8990000    
 H    2.063300       1.890000     -0.8969000    
 H    4.004500       2.673800      0.1895000    
 H    3.888100       1.483800       1.483300    
 H    4.410700      0.8171000      -1.456000    
 H    5.640100      0.8649000     -0.1911000    
 H    4.753700      -1.443400     -0.6732000    
 H    4.617500     -0.9607000       1.023800    
 H    3.079000      -3.182400     -2.7100001E-02
 H   0.7099000      -3.756900     -1.7999999E-02
 H   -1.624400      -3.113500     -1.2900000E-02
 H   -2.806100       2.314600      3.2800000E-02
 H   -4.016900      -2.490900     -1.6500000E-02
 H   -5.129900       1.645500      8.9999996E-03
 H   -5.758800     -0.7516000     -1.4400000E-02


%chk=000178229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178229

0 1
O 0.157513 2.362779 -1.549385
O -0.799615 2.994861 0.421681
N -0.404909 2.089367 -0.417509
C 1.834265 0.040066 -0.038381
C 2.332222 1.474518 0.134454
C 3.788179 1.571911 0.634473
C 2.771504 -1.010086 -0.092800
C 4.700886 0.690211 -0.237503
C 4.281532 -0.781890 -0.072356
C 0.406789 -0.281376 -0.087586
C 0.001520 -1.688401 -0.051330
C 2.343213 -2.383170 -0.136057
C -0.667769 0.665037 -0.112977
C 1.003735 -2.718302 -0.086787
C -2.053393 0.321077 0.011081
C -1.361890 -2.050067 0.023195
C -2.397402 -1.092245 0.080418
C -3.132430 1.277847 0.017052
C -3.779198 -1.487462 0.170992
C -4.457182 0.857487 0.101596
C -4.791815 -0.536394 0.184466
H 1.672641 2.018520 0.836262
H 2.251181 2.013167 -0.830595
H 4.108950 2.629566 0.600761
H 3.856542 1.243501 1.691301
H 4.598556 0.998472 -1.296840
H 5.764598 0.814089 0.038237
H 4.744153 -1.410159 -0.859521
H 4.676242 -1.169286 0.891064
H 3.109167 -3.167061 -0.177731
H 0.681786 -3.765618 -0.070480
H -1.621317 -3.115915 0.041699
H -2.909491 2.346597 -0.019874
H -4.013201 -2.557078 0.224304
H -5.258785 1.603911 0.111781
H -5.841578 -0.839977 0.254093


