%chk=000043002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043002

0 1
 O   -4.183400      0.8644000     -9.7000003E-03
 O    2.396900      -1.398700     -1.5100000E-02
 O    1.453800      -3.464900     -4.1999999E-02
 N   -1.433900      0.3120000      2.1600001E-02
 N   -1.077500      -2.525000     -1.6500000E-02
 C   -2.132700      0.6362000       1.265400    
 C   -2.063700      0.8413000      -1.188200    
 C  -0.2053000     -0.2802000      6.6000000E-03
 C   -3.599300      0.2420000       1.137300    
 C   -3.533100      0.4375000      -1.209400    
 C   0.9897000      0.5904000      1.0800000E-02
 C  -4.6599999E-02  -1.621900     -1.0800000E-02
 C    2.250700     -2.6000000E-03  7.9999998E-04
 C   0.9497000       1.994500      2.3800001E-02
 C    1.303900      -2.246500     -2.4400000E-02
 C    3.435100      0.7398000      4.4000000E-03
 C    2.126800       2.754400      2.7600000E-02
 C    3.369000       2.127200      1.7999999E-02
 H   -2.051200       1.715200       1.443100    
 H   -1.685400      0.1204000       2.123000    
 H   -1.566900      0.4719000      -2.093000    
 H   -1.983400       1.934600      -1.182400    
 H   -3.720000     -0.8450000       1.060600    
 H   -4.154700      0.5764000       2.019200    
 H   -4.040500      0.9137000      -2.054100    
 H   -3.649900     -0.6474000      -1.318300    
 H   5.4000001E-03   2.532000      3.8800001E-02
 H    4.400700      0.2427000     -3.7000000E-03
 H    2.067800       3.839200      3.9700001E-02
 H   -2.034500      -2.195700     -1.5900001E-02
 H  -0.8814000      -3.518000     -3.1099999E-02
 H    4.279400       2.718400      2.1299999E-02


%chk=000043002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043002

0 1
O -4.152357 1.234599 -0.000060
O 2.512125 -1.397980 -0.022765
O 1.712810 -3.555465 -0.087543
N -1.554611 0.002835 -0.011660
N -0.924636 -2.719661 -0.082005
C -2.095977 0.598051 1.239590
C -2.079271 0.656989 -1.240635
C -0.167240 -0.400086 -0.012841
C -3.633314 0.545772 1.194168
C -3.617024 0.603411 -1.218534
C 0.957277 0.524866 0.019878
C 0.076972 -1.777296 -0.049222
C 2.283677 -0.004947 0.014243
C 0.836380 1.948128 0.057919
C 1.450370 -2.330421 -0.055509
C 3.431272 0.807751 0.044557
C 1.974057 2.773086 0.088513
C 3.276582 2.207605 0.082157
H -1.777269 1.656323 1.378934
H -1.724776 0.015600 2.102220
H -1.696344 0.115981 -2.124837
H -1.758518 1.720390 -1.324828
H -3.971603 -0.513884 1.190537
H -4.076426 1.074162 2.054435
H -4.048472 1.172419 -2.058594
H -3.954908 -0.455118 -1.270197
H -0.158463 2.401568 0.063273
H 4.416631 0.332695 0.038294
H 1.853707 3.861175 0.117411
H -1.887882 -2.386898 -0.078616
H -0.677089 -3.707080 -0.107072
H 4.159821 2.853732 0.106190


