%chk=000029856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029856

0 1
 O    4.609200      -1.033700     -0.7664000    
 O    4.427600       1.703600     -0.3346000    
 N   -1.378200     -0.9552000      0.6553000    
 C  -7.6099999E-02  -1.653100      0.5682000    
 C   -1.293000      0.2614000       1.472700    
 C    1.115300     -0.7431000      0.3169000    
 C  -0.2700000       1.277200      0.9594000    
 C    1.030600      0.6422000      0.5437000    
 C   -1.949900     -0.6924000     -0.6657000    
 C   0.1416000      -2.481100       1.844900    
 C    2.330500      -1.290900     -0.1245000    
 C    2.151700       1.453300      0.3165000    
 C   -3.344000     -0.1316000     -0.5721000    
 C    3.442100     -0.4763000     -0.3393000    
 C    3.352700      0.8949000     -0.1184000    
 C   -4.429000     -0.9967000     -0.5570000    
 C   -3.524400       1.242700     -0.5027000    
 C   -5.720600     -0.4771000     -0.4705000    
 C   -4.815900       1.762300     -0.4161000    
 C   -5.914000      0.9024000     -0.4000000    
 C    4.804100      -1.127600      -2.176100    
 C    5.309400       1.918800      0.7659000    
 H  -0.1281000      -2.375900     -0.2580000    
 H  -0.9885000     -3.7700001E-02   2.485100    
 H   -2.262500      0.7353000       1.650000    
 H  -7.8299999E-02   2.007000       1.755800    
 H  -0.6577000       1.830200      9.9500000E-02
 H   -2.004600      -1.629300      -1.237200    
 H   -1.321800     -2.5900001E-02  -1.271200    
 H  -0.7257000      -3.119200       2.049600    
 H    1.010200      -3.141400       1.738900    
 H   0.3207000      -1.854100       2.725000    
 H    2.410000      -2.361600     -0.3001000    
 H    2.083600       2.527500      0.4742000    
 H   -4.290200      -2.072900     -0.6091000    
 H   -2.692500       1.935200     -0.5479000    
 H   -6.575600      -1.146600     -0.4579000    
 H   -4.967200       2.836800     -0.3692000    
 H   -6.919700       1.307100     -0.3344000    
 H    5.780100      -1.586200      -2.357100    
 H    4.794400     -0.1334000      -2.633900    
 H    4.031800      -1.757600      -2.628700    
 H    5.746600      0.9726000       1.100100    
 H    4.779000       2.401200       1.593100    
 H    6.115600       2.579000      0.4347000    


%chk=000029856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029856

0 1
O 4.606169 -1.094785 -0.862266
O 4.527320 1.737021 -0.087812
N -1.432481 -0.891966 0.621285
C -0.149308 -1.644539 0.514396
C -1.318718 0.237733 1.582546
C 1.074738 -0.728584 0.318108
C -0.270950 1.295845 1.147106
C 1.024524 0.652392 0.660436
C -1.996401 -0.499781 -0.697216
C 0.046444 -2.578844 1.736840
C 2.278774 -1.270750 -0.192303
C 2.196605 1.436533 0.520842
C -3.447952 -0.037253 -0.602824
C 3.432900 -0.481754 -0.355303
C 3.399815 0.887721 0.038463
C -4.368435 -0.714586 0.237378
C -3.909468 1.049424 -1.385435
C -5.722208 -0.317072 0.287188
C -5.265891 1.448150 -1.341023
C -6.177455 0.765092 -0.504148
C 5.076282 -0.543427 -2.154096
C 5.684132 1.346070 0.750674
H -0.239201 -2.296384 -0.378138
H -1.039142 -0.181802 2.565802
H -2.312275 0.704382 1.698198
H -0.064413 1.987320 1.986840
H -0.694134 1.921597 0.334196
H -1.948196 -1.401680 -1.340736
H -1.398390 0.285478 -1.220738
H -0.830590 -3.240720 1.840769
H 0.952418 -3.198161 1.610818
H 0.166798 -2.004364 2.672347
H 2.337494 -2.324778 -0.489491
H 2.193523 2.497154 0.798294
H -3.997924 -1.541210 0.854267
H -3.204327 1.585957 -2.033383
H -6.423359 -0.848870 0.940928
H -5.607960 2.290908 -1.952753
H -7.228399 1.073711 -0.465555
H 6.002890 -1.090285 -2.386976
H 5.274871 0.540769 -2.074240
H 4.322065 -0.728246 -2.942846
H 6.006877 0.313820 0.523858
H 5.420802 1.428750 1.822495
H 6.481437 2.064119 0.504605


