%chk=000060504.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060504

0 1
 O    1.623900      -2.004500       1.112000    
 N   -2.186700     -8.3099999E-02  0.4118000    
 C   -2.130300       1.184000     -0.3247000    
 C   -3.185800     -0.1145000       1.481100    
 C  -0.8553000     -0.4248000      0.9158000    
 C   -3.463500       1.839400     -0.6986000    
 C   -4.519900     -0.6528000      0.9562000    
 C   -4.555700      0.8650000      -1.127200    
 C   -5.317800      0.2961000      6.7000002E-02
 C   0.1614000     -0.6211000     -0.2251000    
 C  -0.2818000      -1.717500      -1.211500    
 C    1.498100     -0.9963000      0.4187000    
 C   0.7246000      -1.944800      -2.332400    
 C    2.668900     -9.8700002E-02  0.2489000    
 C    2.453900       1.256000      0.1000000    
 C    3.934800     -0.6474000      0.2459000    
 C    3.553500       2.099400     -5.9200000E-02
 C    5.034300      0.1960000      8.6900003E-02
 C    4.843600       1.569400     -6.5700002E-02
 H   -1.617900       1.013300      -1.278300    
 H   -1.541500       1.931200      0.2242000    
 H   -3.303800      0.8596000       1.971300    
 H   -2.873900     -0.8104000       2.271200    
 H  -0.4934000      0.3366000       1.620300    
 H  -0.9133000      -1.364600       1.482000    
 H   -3.272100       2.535700      -1.525400    
 H   -3.820000       2.455900      0.1361000    
 H   -5.148300     -0.9156000       1.816900    
 H   -4.346300      -1.592400      0.4150000    
 H   -4.148400      6.1900001E-02  -1.752300    
 H   -5.275800       1.412300      -1.748300    
 H   -5.704900       1.120800      0.6788000    
 H   -6.197300     -0.2436000     -0.3057000    
 H   0.2845000      0.2940000     -0.8068000    
 H   -1.242400      -1.453100      -1.667800    
 H  -0.4326000      -2.665500     -0.6802000    
 H   0.3313000      -2.676200      -3.045800    
 H   0.9227000      -1.015400      -2.875900    
 H    1.673900      -2.333100      -1.951500    
 H    1.469800       1.710100      0.1419000    
 H    4.098100      -1.715100      0.3579000    
 H    3.406100       3.170000     -0.1684000    
 H    6.039000     -0.2164000      8.0899999E-02
 H    5.699900       2.226300     -0.1876000    


%chk=000060504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060504

0 1
O 1.929004 -2.391784 0.271036
N -1.942860 0.162238 0.475091
C -1.946026 1.493222 -0.164357
C -3.023321 -0.149915 1.440189
C -0.591335 -0.316572 0.793783
C -3.345011 2.077803 -0.461809
C -4.282550 -0.748019 0.763416
C -4.349677 1.083638 -1.099981
C -5.131949 0.254940 -0.050923
C 0.187264 -0.856101 -0.471596
C -0.540327 -2.065595 -1.094824
C 1.617333 -1.199889 -0.035055
C 0.015274 -2.469224 -2.477393
C 2.646322 -0.103301 0.085038
C 2.369941 1.259157 -0.213838
C 3.950616 -0.457247 0.528267
C 3.375368 2.240588 -0.074136
C 4.954146 0.520837 0.665638
C 4.669113 1.875275 0.364437
H -1.398272 1.407890 -1.126565
H -1.376992 2.237797 0.455012
H -3.308787 0.739375 2.050602
H -2.629473 -0.897902 2.153617
H 0.022075 0.483031 1.278696
H -0.663559 -1.155036 1.510766
H -3.190739 2.944133 -1.134978
H -3.791274 2.488798 0.465570
H -4.925617 -1.201283 1.546744
H -3.940185 -1.570663 0.105416
H -3.815168 0.407375 -1.796730
H -5.081833 1.653960 -1.705609
H -5.627855 0.962311 0.647484
H -5.945520 -0.302122 -0.557936
H 0.225994 -0.040393 -1.220900
H -1.611568 -1.799401 -1.172564
H -0.454860 -2.923763 -0.401338
H -0.561337 -3.310898 -2.903307
H -0.039712 -1.627713 -3.195146
H 1.069870 -2.790722 -2.404238
H 1.376228 1.561636 -0.559900
H 4.144144 -1.510645 0.756912
H 3.152348 3.287498 -0.307859
H 5.955608 0.234628 1.005461
H 5.448759 2.638155 0.470209


