%chk=000121428.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121428

0 1
 O    1.146400      -3.130600     -9.3500003E-02
 O    2.282700      0.7979000       2.258300    
 O   -4.690600     -0.2355000      0.7122000    
 O   -2.023200       2.992400      -2.171400    
 N   5.4499999E-02  -1.044900      0.2654000    
 N   0.4457000      0.1694000      0.8801000    
 C    2.129000      -1.395200       1.264000    
 C    3.490300      -1.372000      0.5927000    
 C    1.083200      -1.994900      0.3536000    
 C    1.646800     -5.0000002E-04   1.586000    
 C    3.476800     -0.5127000     -0.6712000    
 C    4.857500     -0.4646000      -1.325300    
 C   -1.298300      -1.403600     -1.7300000E-02
 C  -3.4499999E-02   1.457100      0.4922000    
 C    4.856600      0.4166000      -2.564300    
 C   -2.347700     -0.6347000      0.4906000    
 C  -0.8051000       1.598800     -0.6642000    
 C   -1.576900      -2.525300     -0.8013000    
 C   0.2657000       2.580200       1.266600    
 C   -3.669500     -0.9861000      0.2160000    
 C   -1.272900       2.857000      -1.044100    
 C   -2.898500      -2.876600      -1.075900    
 C  -0.2020000       3.838100      0.8867000    
 C   -3.944800      -2.106900     -0.5675000    
 C  -0.9713000       3.976500     -0.2685000    
 H    2.152200      -1.975000       2.193200    
 H    3.799500      -2.393100      0.3376000    
 H    4.237100     -0.9760000       1.292100    
 H    2.756700     -0.9076000      -1.397400    
 H    3.172300      0.5142000     -0.4396000    
 H    5.173300      -1.477000      -1.602800    
 H    5.594900     -7.8199998E-02 -0.6121000    
 H    4.578100       1.445300      -2.314400    
 H    4.150700      4.1299999E-02  -3.312000    
 H    5.852900      0.4351000      -3.016900    
 H   -2.180000      0.1947000       1.170100    
 H  -0.9910000      0.7712000      -1.340600    
 H  -0.8044000      -3.129600      -1.262200    
 H   0.8149000       2.525100       2.199000    
 H   -3.113500      -3.742600      -1.695100    
 H   2.2500001E-02   4.708700       1.496200    
 H   -4.972200      -2.384100     -0.7871000    
 H   -1.335000       4.958700     -0.5578000    
 H   -4.321000      0.5053000       1.222600    
 H   -2.143400       2.117900      -2.579700    


%chk=000121428-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121428

0 1
O 1.056036 -3.106575 -0.108535
O 2.267399 1.011399 2.148022
O -4.769980 -0.551796 1.304300
O -1.753728 3.116829 -2.474103
N 0.034470 -0.991459 0.236174
N 0.391115 0.235478 0.919791
C 2.170646 -1.311464 1.228256
C 3.585447 -1.308827 0.586263
C 1.081780 -1.943519 0.362153
C 1.663457 0.097033 1.536520
C 3.665747 -0.565345 -0.765053
C 5.095228 -0.583464 -1.352056
C -1.347124 -1.318766 0.001785
C -0.178439 1.490376 0.504375
C 5.193980 0.139437 -2.712464
C -2.362350 -0.744004 0.805716
C -0.679894 1.645722 -0.811414
C -1.667162 -2.238896 -1.025994
C -0.202897 2.566460 1.423955
C -3.709482 -1.090492 0.558820
C -1.223958 2.892303 -1.193654
C -3.022394 -2.583797 -1.231330
C -0.729254 3.808631 1.002552
C -4.051614 -2.013619 -0.456252
C -1.250070 3.983720 -0.294892
H 2.222251 -1.897733 2.167443
H 3.892853 -2.363400 0.452504
H 4.279820 -0.844009 1.311687
H 2.969814 -1.033407 -1.491299
H 3.341264 0.487415 -0.636071
H 5.428663 -1.635260 -1.465115
H 5.790470 -0.110484 -0.629227
H 4.893781 1.200255 -2.621240
H 4.532754 -0.333941 -3.462654
H 6.225686 0.113773 -3.108293
H -2.102599 -0.043840 1.606899
H -0.643328 0.810036 -1.518744
H -0.874162 -2.689286 -1.624897
H 0.203226 2.438784 2.428714
H -3.276842 -3.303502 -2.016296
H -0.740456 4.649289 1.704031
H -5.104021 -2.261946 -0.618134
H -1.674959 4.935667 -0.624616
H -4.445012 0.107981 1.966151
H -1.731663 2.292441 -3.020779


