%chk=000059425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059425

0 1
 O    4.693500      0.3919000      4.4000000E-03
 O    3.314600      -1.457800     -3.8999999E-03
 N  -3.2499999E-02   1.172200     -3.1999999E-03
 C   -1.362800      0.5663000      4.6999999E-03
 C   -2.950600     -0.9357000      -1.265400    
 C   -2.945900     -0.9562000       1.255900    
 C   -3.845500       1.044900      1.3200000E-02
 C   -1.547600     -0.3016000      -1.259400    
 C   -1.542900     -0.3222000       1.255000    
 C   -2.440400       1.674100      1.5699999E-02
 C   -3.115800      -1.811200     -1.1500000E-02
 C   -4.010200      0.1792000      -1.247600    
 C   -4.005500      0.1588000       1.260300    
 C    1.000400      0.1482000     -3.1099999E-02
 C    2.384400      0.7899000      1.0000000E-03
 C    3.485500     -0.2465000      3.9999999E-04
 C    5.841900     -0.4622000      3.4000000E-03
 C    7.079500      0.3678000      8.1000002E-03
 H   -3.076200      -1.549500      -2.164500    
 H   -3.068100      -1.584600       2.145400    
 H   -4.604300       1.835200      2.1000000E-02
 H  -0.8398000      -1.135000      -1.313900    
 H   -1.409800      0.3005000      -2.167000    
 H   -1.402600      0.2660000       2.171400    
 H  -0.8340000      -1.154900       1.296500    
 H   -2.328600       2.326700     -0.8604000    
 H   -2.326400       2.312800      0.9016000    
 H   -2.376800      -2.621800     -1.9500000E-02
 H   -4.105700      -2.283900     -1.3400000E-02
 H   -3.913200      0.8023000      -2.145100    
 H   -5.015400     -0.2594000      -1.271600    
 H   -3.905100      0.7672000       2.167500    
 H   -5.010600     -0.2802000       1.281000    
 H   8.5699998E-02   1.756700      0.8242000    
 H   0.9703000     -0.4512000     -0.9449000    
 H   0.9573000     -0.5274000      0.8265000    
 H    2.496000       1.397600      0.9070000    
 H    2.519000       1.431800     -0.8776000    
 H    5.817400      -1.101100      0.8935000    
 H    5.820200      -1.095100     -0.8911000    
 H    7.976400     -0.2583000      7.4000000E-03
 H    7.112400       1.024600     -0.8678000    
 H    7.109700       1.018600      0.8884000    


%chk=000059425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059425

0 1
O 4.831328 0.451110 -0.000192
O 3.578307 -1.424543 -0.580567
N 0.002683 0.970117 -0.017661
C -1.381339 0.411002 0.028054
C -3.121828 -0.958057 -1.241639
C -3.138963 -0.957235 1.294408
C -3.839243 1.119365 0.018672
C -1.653265 -0.452891 -1.236845
C -1.669424 -0.452741 1.299527
C -2.367364 1.612705 0.019154
C -3.380241 -1.819192 0.025146
C -4.088241 0.255660 -1.248373
C -4.101307 0.260181 1.286494
C 1.135848 0.027878 0.110470
C 2.454455 0.752139 -0.227779
C 3.631457 -0.205647 -0.291010
C 6.071437 -0.383150 -0.090146
C 7.241679 0.525425 0.271005
H -3.290661 -1.571815 -2.148548
H -3.321431 -1.569399 2.200262
H -4.517366 1.995674 0.013604
H -0.967359 -1.322465 -1.267586
H -1.446411 0.161777 -2.134282
H -1.480364 0.158899 2.206998
H -0.977849 -1.318060 1.335452
H -2.162119 2.234067 -0.874291
H -2.182057 2.246673 0.913067
H -2.707863 -2.700868 0.030199
H -4.420880 -2.201655 0.018215
H -3.925923 0.863707 -2.160929
H -5.140035 -0.094216 -1.268739
H -3.946665 0.870978 2.199124
H -5.154300 -0.086173 1.299203
H 0.091933 1.748227 0.654292
H 1.001922 -0.798703 -0.607287
H 1.227054 -0.439519 1.119780
H 2.681054 1.558675 0.492917
H 2.340788 1.235108 -1.218441
H 5.965821 -1.236854 0.603548
H 6.145474 -0.784573 -1.117218
H 8.187695 -0.044032 0.218714
H 7.310101 1.377454 -0.426789
H 7.131363 0.922467 1.294617


