%chk=000217859.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217859

0 1
N -0.220990 0.041626 0.403837
N 3.500074 -0.049987 -0.090390
N -2.990694 -2.850844 -0.776690
C -1.024029 1.205004 0.269913
C -2.298434 0.841233 -0.148080
C -0.580516 2.591328 0.575048
C -3.390932 1.821376 -0.376653
C -1.594043 3.596475 -0.009144
C -3.047027 3.177858 0.269028
C -2.313835 -0.586191 -0.314838
C -0.995575 -1.064051 0.023854
C 1.211129 0.004816 0.740111
C 2.077508 0.036616 -0.541998
C -0.691410 -2.437621 -0.046189
C -3.276804 -1.537307 -0.708486
C 4.140370 1.307385 -0.046377
C 4.299410 -1.015183 -0.914319
C -1.721836 -3.278808 -0.449796
C 5.360852 1.277454 0.874602
C 3.867881 -2.450143 -0.609812
H -0.504870 2.724893 1.675517
H 0.429300 2.793610 0.167283
H -3.552299 1.946160 -1.468246
H -4.348145 1.439283 0.031639
H -1.403960 4.600859 0.411298
H -1.438507 3.680429 -1.102680
H -3.739274 3.954764 -0.103606
H -3.210967 3.114695 1.362566
H 1.463647 0.858003 1.407351
H 1.435238 -0.919618 1.323138
H 1.804980 -0.825168 -1.190972
H 1.851359 0.942860 -1.140963
H 0.292159 -2.814894 0.205150
H -4.294884 -1.234262 -0.973194
H 4.429804 1.679079 -1.053312
H 3.399173 2.031638 0.358924
H 4.225516 -0.814395 -2.004927
H 5.372191 -0.891905 -0.639674
H -1.571650 -4.360641 -0.531342
H 5.107612 0.833384 1.847290
H 6.177328 0.677541 0.456209
H 5.743858 2.287115 1.053913
H 3.874167 -2.639864 0.472143
H 2.853861 -2.662109 -0.967514
H 4.544765 -3.171093 -1.080212


%chk=000217859-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217859

0 1
N -0.257435 0.020986 0.386331
N 3.512597 -0.087970 -0.145800
N -3.111811 -2.886431 -0.635325
C -1.036264 1.194071 0.230445
C -2.331552 0.853371 -0.160720
C -0.533459 2.590923 0.478793
C -3.416853 1.880219 -0.386926
C -1.543979 3.612690 -0.113085
C -3.007651 3.242941 0.234972
C -2.371275 -0.589979 -0.272637
C -1.057873 -1.079964 0.071030
C 1.171552 -0.038359 0.722720
C 2.084546 -0.047334 -0.532645
C -0.778958 -2.463591 0.056500
C -3.359955 -1.547270 -0.616923
C 4.082117 1.265534 0.096997
C 4.351335 -0.933027 -1.037875
C -1.845381 -3.315326 -0.303132
C 5.269796 1.256849 1.078239
C 4.119993 -2.440935 -0.824696
H -0.414377 2.772289 1.568342
H 0.466559 2.748924 0.025507
H -3.605508 2.009427 -1.473447
H -4.374935 1.538741 0.051846
H -1.305203 4.625297 0.263039
H -1.431193 3.638171 -1.215119
H -3.690780 4.037710 -0.119871
H -3.114768 3.189962 1.337040
H 1.423218 0.823149 1.365654
H 1.372782 -0.949311 1.312698
H 1.839348 -0.940669 -1.133846
H 1.841852 0.837971 -1.169154
H 0.202762 -2.877092 0.309871
H -4.378469 -1.243056 -0.887014
H 4.386651 1.755735 -0.862546
H 3.279937 1.896963 0.525166
H 4.192719 -0.673424 -2.114958
H 5.409818 -0.707281 -0.814858
H -1.696112 -4.400623 -0.332518
H 4.962114 0.819219 2.043778
H 6.119424 0.665083 0.692933
H 5.633489 2.286582 1.253388
H 4.334220 -2.713566 0.223389
H 3.078080 -2.735679 -1.048716
H 4.780383 -3.030522 -1.487467


