%chk=000060126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060126

0 1
 O    4.318600       3.271000      0.4712000    
 O   -1.412200     -0.4760000       1.322500    
 O    4.483700      -3.724100      0.5951000    
 O    2.935600      -2.416300       1.622000    
 N   0.2473000     -0.1591000     -0.8384000    
 C    2.251300      -1.105400     -0.7139000    
 C    1.122200      0.8497000     -0.5035000    
 C   0.9203000      -1.344300     -0.9676000    
 C    2.394100      0.2793000     -0.4189000    
 C   -1.179100      1.0600000E-02  -1.025500    
 C    3.336900      -2.108000     -0.7443000    
 C    3.486800       1.104700     -8.6700000E-02
 C   0.8874000       2.209600     -0.2715000    
 C   0.2305000      -2.602800      -1.323800    
 C    3.267000       2.466900      0.1479000    
 C   -1.959400     -0.1906000      0.2597000    
 C    1.986400       3.008700      5.6499999E-02
 C   -3.443200     -3.6600001E-02  0.2233000    
 C    3.535100      -2.754300      0.6090000    
 C   -4.044100      0.2814000     -0.9731000    
 C   -4.153800     -0.2189000       1.387800    
 C   -6.179700      0.2466000      0.1563000    
 C   -5.431200      0.4252000      -1.007100    
 C   -5.540900     -7.5400002E-02   1.354000    
 C    5.603300       2.657000      0.5490000    
 C   -7.662800      0.4011000      0.1201000    
 H   -1.344400       1.021200      -1.411400    
 H   -1.507900     -0.7068000      -1.783300    
 H    4.282900      -1.638500      -1.036300    
 H    3.119200      -2.894500      -1.474800    
 H    4.459400      0.6320000     -2.7100001E-02
 H  -0.1049000       2.642600     -0.3344000    
 H  -0.6529000      -2.765500     -0.6979000    
 H   0.8785000      -3.473500      -1.185000    
 H  -8.2000002E-02  -2.587700      -2.373000    
 H    1.831600       4.068900      0.2433000    
 H   -3.503600      0.4293000      -1.900700    
 H   -3.676500     -0.4693000       2.330000    
 H   -5.917700      0.6782000      -1.945500    
 H   -6.113000     -0.2149000       2.267400    
 H    5.643800       1.905700       1.345100    
 H    5.917500       2.254400     -0.4200000    
 H    6.319900       3.441000      0.8151000    
 H    4.615200      -4.120000       1.482900    
 H   -8.145400     -0.2424000      0.8635000    
 H   -8.065600      0.1176000     -0.8583000    
 H   -7.937200       1.440600      0.3248000    


%chk=000060126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060126

0 1
O 4.381582 3.291450 0.392448
O -1.432819 -0.893462 1.194982
O 4.420902 -2.238898 1.398771
O 2.961223 -3.981749 0.917294
N 0.251082 -0.242130 -0.943380
C 2.308163 -1.224620 -0.784403
C 1.157478 0.779941 -0.601798
C 0.948906 -1.464495 -1.029287
C 2.459265 0.187706 -0.498080
C -1.182173 -0.065298 -1.094777
C 3.418005 -2.254998 -0.803395
C 3.580497 0.993805 -0.163363
C 0.951079 2.160176 -0.386027
C 0.241728 -2.757503 -1.312306
C 3.367048 2.371479 0.047962
C -1.998747 -0.391797 0.185330
C 2.067067 2.951459 -0.063876
C -3.470662 -0.116297 0.160274
C 3.550745 -2.941641 0.549379
C -4.141807 0.411216 -0.976024
C -4.231341 -0.399734 1.329190
C -6.292801 0.367770 0.224399
C -5.531760 0.647579 -0.939674
C -5.615057 -0.160131 1.359026
C 5.732973 2.758874 0.551077
C -7.788468 0.616029 0.264110
H -1.383682 0.976574 -1.403770
H -1.559194 -0.710732 -1.912280
H 4.376656 -1.771709 -1.057143
H 3.217144 -3.041848 -1.550015
H 4.568079 0.538563 -0.048801
H -0.041801 2.618965 -0.446973
H -0.501039 -2.984917 -0.524508
H 0.963293 -3.589505 -1.319060
H -0.283807 -2.751347 -2.287855
H 1.965958 4.024911 0.121168
H -3.593205 0.640720 -1.895832
H -3.704867 -0.806382 2.199248
H -6.035115 1.055300 -1.824019
H -6.185268 -0.381714 2.269267
H 5.776162 1.998206 1.355822
H 6.106332 2.313329 -0.392801
H 6.356338 3.623674 0.823778
H 4.418834 -2.669411 2.296953
H -8.345354 -0.332418 0.385814
H -8.146544 1.100449 -0.659829
H -8.064026 1.262960 1.117483


