%chk=000256052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256052

0 1
O 2.331882 2.079199 -2.499246
O 0.641031 0.752712 -2.374156
N -2.117738 -1.064336 0.613339
N -0.914779 -0.510070 0.831628
N 1.661055 1.243466 -1.909129
C -4.239390 1.059751 -0.011870
C -3.136130 1.181184 -1.071124
C -3.675303 0.810394 1.392158
C -2.717665 -0.145332 -1.715587
C -3.148626 -0.615632 1.604149
C -2.641000 -1.346410 -0.760079
C 0.022198 -0.465221 -0.085982
C 1.350816 0.029292 0.296393
C 2.128964 0.819990 -0.579015
C 1.891261 -0.292228 1.560928
C 3.413188 1.264790 -0.191843
C 3.155196 0.148083 1.933719
C 3.924593 0.927565 1.052795
H -4.831364 1.996845 0.003016
H -4.954343 0.262738 -0.288562
H -3.468374 1.871603 -1.872219
H -2.242950 1.665147 -0.623587
H -2.861710 1.536344 1.600035
H -4.458159 1.014757 2.148936
H -3.419234 -0.400679 -2.534377
H -1.730320 0.006935 -2.208630
H -2.702496 -0.699592 2.623201
H -3.980877 -1.352001 1.555449
H -3.649496 -1.801007 -0.644078
H -1.996280 -2.138158 -1.206590
H -0.091205 -0.742420 -1.146869
H 1.290200 -0.892346 2.249120
H 3.994894 1.881731 -0.887437
H 3.556273 -0.111259 2.915166
H 4.915886 1.267163 1.349445


%chk=000256052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256052

0 1
O 3.466543 0.602283 -2.892894
O 1.246397 0.155814 -2.735278
N -2.073628 -0.872874 0.388167
N -0.837342 -0.434289 0.720846
N 2.397311 0.410898 -2.184188
C -4.551325 0.881433 0.284250
C -3.538961 1.372254 -0.789980
C -3.884507 0.405920 1.601788
C -2.947834 0.279965 -1.721406
C -3.062481 -0.901366 1.484763
C -2.567920 -1.046480 -0.998555
C 0.075140 -0.199065 -0.228279
C 1.417248 0.212397 0.182157
C 2.507973 0.495624 -0.713678
C 1.706105 0.347678 1.581679
C 3.788468 0.883091 -0.230705
C 2.964497 0.735286 2.055103
C 4.022295 1.006896 1.143938
H -5.230541 1.719086 0.535355
H -5.196863 0.079565 -0.131720
H -4.024242 2.131748 -1.432880
H -2.710118 1.895106 -0.272044
H -3.219179 1.210674 1.972285
H -4.659851 0.245427 2.378169
H -3.683267 0.019207 -2.507574
H -2.067026 0.697726 -2.242892
H -2.508634 -1.087689 2.420022
H -3.742063 -1.756704 1.305480
H -3.457252 -1.695986 -0.920443
H -1.811428 -1.601419 -1.586825
H -0.123189 -0.295796 -1.297713
H 0.888877 0.131045 2.274947
H 4.573779 1.079215 -0.964385
H 3.133826 0.827003 3.133750
H 5.009192 1.309325 1.507839


