%chk=000280867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280867

0 1
P 1.388102 0.037202 -0.514791
O 1.427565 -0.000187 -2.014987
N -0.180027 0.665157 0.051959
N 2.652216 1.035928 0.146747
N 1.563550 -1.484720 0.339615
C -1.325932 0.640219 -0.914945
C -0.670181 1.954731 -0.517440
C -2.664213 0.262259 -0.373466
C 2.709469 1.210381 1.621653
C 2.961941 2.245192 -0.672605
C 2.858686 -2.155841 -0.008565
C 0.370890 -2.374522 0.275632
C -2.788319 -0.687970 0.648704
C -3.811907 0.854320 -0.923128
C 1.665334 2.152448 2.224685
C 4.466409 2.526906 -0.633495
C 3.279157 -3.083832 1.134320
C -0.004993 -2.907156 -1.107762
C -4.053915 -1.045045 1.120238
C -5.074906 0.492934 -0.447599
C -5.198338 -0.456029 0.573089
H -1.168759 0.262091 -1.947501
H -0.102498 2.528854 -1.254655
H -1.163053 2.613276 0.207530
H 2.630300 0.202809 2.099159
H 3.730907 1.587077 1.867673
H 2.662960 2.066860 -1.737973
H 2.405119 3.142487 -0.318180
H 2.797534 -2.735402 -0.959311
H 3.657920 -1.387865 -0.153453
H 0.566551 -3.234953 0.959301
H -0.499886 -1.827788 0.731598
H -1.883464 -1.141148 1.074078
H -3.718247 1.593543 -1.716080
H 1.617022 3.108164 1.693025
H 0.655781 1.716310 2.205392
H 1.896417 2.370087 3.272836
H 4.803030 2.819979 0.366580
H 5.038508 1.633722 -0.918666
H 4.732632 3.329338 -1.329107
H 3.258047 -2.556604 2.097010
H 2.612010 -3.948004 1.225909
H 4.295582 -3.459835 0.978302
H -0.246950 -2.110836 -1.825237
H 0.811053 -3.486247 -1.557043
H -0.881069 -3.561998 -1.050647
H -4.148303 -1.781515 1.916181
H -5.965513 0.952028 -0.873234
H -6.183518 -0.734703 0.940851


%chk=000280867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280867

0 1
P 1.318833 0.334926 -0.621010
O 1.419596 0.677432 -2.193247
N -0.296189 0.748609 0.098821
N 2.515540 1.222515 0.271854
N 1.494081 -1.315698 -0.073889
C -1.483005 0.752966 -0.866103
C -0.883957 2.060847 -0.367334
C -2.781377 0.210235 -0.360301
C 2.606033 1.103744 1.743703
C 3.314733 2.261462 -0.417702
C 2.775918 -1.986373 -0.418089
C 0.304837 -2.180311 0.130600
C -3.046260 0.117615 1.030753
C -3.779037 -0.199118 -1.281608
C 1.897823 2.244101 2.510547
C 4.825602 1.944719 -0.439831
C 3.388539 -2.744921 0.776786
C -0.257394 -2.833152 -1.154088
C -4.291046 -0.364172 1.489263
C -5.025693 -0.679466 -0.822243
C -5.286789 -0.761472 0.565084
H -1.238633 0.524581 -1.914039
H -0.316161 2.654924 -1.096102
H -1.406067 2.621976 0.415211
H 2.163649 0.131605 2.028616
H 3.676807 1.066218 2.028187
H 2.937251 2.325791 -1.454433
H 3.143308 3.247034 0.063394
H 2.634809 -2.677219 -1.275400
H 3.485772 -1.208518 -0.755977
H 0.590609 -2.967291 0.854733
H -0.474869 -1.572207 0.618997
H -2.257744 0.405920 1.735472
H -3.579183 -0.137749 -2.358673
H 2.314228 3.233114 2.245737
H 0.818289 2.244093 2.280265
H 2.023334 2.107156 3.601269
H 5.245921 1.858943 0.579046
H 5.012092 0.995695 -0.973296
H 5.374580 2.750100 -0.962844
H 3.575212 -2.055868 1.618790
H 2.726907 -3.554466 1.134016
H 4.349210 -3.205994 0.480332
H -0.559638 -2.064144 -1.887253
H 0.485327 -3.491415 -1.640119
H -1.146094 -3.444365 -0.909834
H -4.486341 -0.434071 2.565533
H -5.789505 -0.991345 -1.543574
H -6.253156 -1.134882 0.922175


