%chk=000101595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101595

0 1
 O    1.535600       2.982800     -0.5660000    
 O   0.2454000      -2.732100       1.667200    
 O   -2.835800       2.804500     -0.5156000    
 O   -4.460200       1.065000     -0.2452000    
 N   -1.416900      0.9910000     -0.2045000    
 N    2.801900      -1.935400     -0.6105000    
 C  -3.5799999E-02  0.4813000     -0.1846000    
 C  -9.9100001E-02  -1.074500     -6.8599999E-02
 C   0.6922000       1.214200      0.9413000    
 C    2.023700      0.5168000       1.277300    
 C   0.7489000       2.709800      0.5929000    
 C    1.632000     -0.8213000       1.933400    
 C   -1.613600      -1.287900     -5.5399999E-02
 C   0.5529000      -1.624500       1.214200    
 C   0.4515000      -1.820900      -1.322300    
 C   -2.312900     -8.4799998E-02 -0.1686000    
 C  -0.6553000       3.273900      0.3205000    
 C    3.057400      0.4502000      0.1482000    
 C   -1.737300       2.334500     -0.2137000    
 C    1.914000      -1.571300      -1.714200    
 C    3.726600     -0.8680000     -0.2213000    
 C   -2.306200      -2.494300      1.0200000E-02
 C    3.449200       1.550200     -0.5257000    
 C   -3.701100     -5.6299999E-02 -0.1840000    
 C    2.934100       2.932400     -0.3223000    
 C   -3.701400      -2.478500     -1.4400000E-02
 C   -4.394000      -1.266300     -0.1083000    
 C    3.504200      -3.190600     -0.8601000    
 H   0.3906000      0.7649000      -1.155200    
 H   6.9899999E-02   1.158100       1.849900    
 H    2.512700       1.096400       2.074900    
 H    1.166800       3.273600       1.437400    
 H    1.220300     -0.6060000       2.929400    
 H    2.503500      -1.462900       2.097800    
 H  -0.1627000      -1.560900      -2.196500    
 H   0.3217000      -2.904200      -1.185300    
 H  -0.5972000       4.129200     -0.3634000    
 H   -1.056000       3.641300       1.275000    
 H    2.141100      -2.156700      -2.615600    
 H    2.029700     -0.5300000      -2.032400    
 H    4.459900     -0.7191000      -1.025800    
 H    4.307600      -1.188800      0.6536000    
 H   -1.781600      -3.441900      7.5599998E-02
 H    4.209900       1.455300      -1.298200    
 H    3.206800       3.333300      0.6607000    
 H    3.403300       3.586100      -1.065900    
 H   -4.253700      -3.412500      3.9799999E-02
 H   -5.481300      -1.277400     -0.1182000    
 H    4.193900      -3.113700      -1.708100    
 H    2.791900      -3.997700      -1.064400    
 H    4.076200      -3.495400      2.3200000E-02
 H   -4.020800       1.755800      0.2754000    


%chk=000101595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101595

0 1
O 1.761435 3.185430 -0.459244
O 0.684082 -2.953246 1.081352
O -2.945025 2.758050 0.178240
O -4.618852 0.843772 -0.050839
N -1.466365 0.976940 -0.197369
N 2.641177 -1.780088 -0.683226
C -0.024639 0.534622 -0.286554
C -0.060884 -1.035630 -0.258406
C 0.721559 1.253664 0.857426
C 2.049302 0.545968 1.261894
C 0.766943 2.775733 0.550869
C 1.637635 -0.840448 1.816938
C -1.547258 -1.349279 -0.031914
C 0.843874 -1.716257 0.836149
C 0.375955 -1.627566 -1.638132
C -2.333275 -0.170960 -0.065876
C -0.578749 3.272328 -0.050633
C 3.151051 0.492778 0.186389
C -1.753566 2.304883 -0.005229
C 1.876053 -1.366317 -1.884078
C 3.708752 -0.861107 -0.226005
C -2.138364 -2.616592 0.107673
C 3.677083 1.624840 -0.356970
C -3.759164 -0.232120 0.013760
C 3.170192 3.013976 -0.042209
C -3.550008 -2.687792 0.203553
C -4.339348 -1.522730 0.151123
C 3.001809 -3.208588 -0.647609
H 0.389951 0.887927 -1.250091
H 0.071424 1.167771 1.755754
H 2.468500 1.134028 2.109099
H 0.994666 3.311184 1.499118
H 0.999083 -0.687678 2.712420
H 2.502966 -1.434125 2.161231
H -0.237836 -1.193902 -2.450576
H 0.172469 -2.713491 -1.618863
H -0.368223 3.508917 -1.112435
H -0.918524 4.206748 0.421045
H 2.221491 -1.908322 -2.791036
H 2.056520 -0.290511 -2.061243
H 4.503087 -0.717431 -0.995112
H 4.195354 -1.348994 0.642497
H -1.510439 -3.508081 0.168667
H 4.472379 1.537572 -1.109290
H 3.264220 3.248380 1.042482
H 3.727736 3.776103 -0.610447
H -4.039699 -3.660942 0.318442
H -5.430705 -1.569779 0.214757
H 3.754670 -3.474170 -1.422361
H 2.097164 -3.822000 -0.791923
H 3.401319 -3.465913 0.348287
H -4.086478 1.729145 0.022105


