%chk=000271943.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271943

0 1
O 1.942826 0.272702 2.482719
N -0.017299 0.743038 0.578738
N 1.317359 0.931794 0.336583
C -2.666314 -1.670326 -0.423108
C -3.035780 -2.998943 0.248542
C -2.702373 -0.510115 0.583484
C -3.008742 -4.161278 -0.753931
C -2.322178 0.785922 -0.074579
C -3.372274 -5.487387 -0.089472
C -3.194363 1.744706 -0.425008
C -0.877901 0.990226 -0.367574
C 4.366445 -0.037674 0.161202
C 5.697105 0.255335 -0.240728
C -4.649862 1.672912 -0.206689
C 3.654221 0.944318 0.924058
C 3.791659 -1.297633 -0.202990
C 6.288178 1.503329 0.134186
C 4.246051 2.134314 1.279508
C 6.423253 -0.709049 -1.010829
C 2.252267 0.661175 1.386235
C 5.581903 2.416306 0.877361
C -5.504509 1.380627 -1.281473
C -5.187852 1.923953 1.065886
C 4.512972 -2.203503 -0.938741
C 5.844945 -1.905176 -1.351868
C -6.886542 1.338115 -1.080175
C -6.570856 1.881786 1.257821
C -7.422192 1.588860 0.187210
H -1.658001 -1.742730 -0.874422
H -3.363814 -1.459559 -1.257072
H -4.039933 -2.923949 0.708884
H -2.338475 -3.206550 1.083534
H -3.711868 -0.436720 1.039117
H -2.009771 -0.715745 1.430623
H -3.709838 -3.956279 -1.586516
H -2.004542 -4.237589 -1.214605
H -2.674852 -5.738231 0.718067
H -4.377849 -5.458032 0.345567
H -3.350313 -6.311651 -0.810649
H -2.867618 2.672483 -0.900519
H -0.657743 1.349527 -1.382057
H 2.778012 -1.533473 0.125071
H 7.311824 1.711425 -0.178939
H 3.707219 2.873416 1.875638
H 7.442376 -0.473202 -1.315442
H 6.028481 3.364979 1.173795
H -5.088647 1.183766 -2.266895
H -4.524325 2.151854 1.898296
H 4.082513 -3.166152 -1.214892
H 1.661580 1.255659 -0.576468
H 6.390376 -2.645352 -1.936014
H -7.548103 1.108735 -1.913734
H -6.986550 2.077533 2.244924
H -8.498387 1.556103 0.340241


%chk=000271943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271943

0 1
O 1.954447 -1.130936 2.260918
N -0.039323 0.061106 0.665074
N 1.314530 0.297885 0.507743
C -2.573195 -1.913379 0.375824
C -3.121145 -3.006947 1.319077
C -2.831215 -0.483069 0.934960
C -2.871419 -4.438527 0.792530
C -2.312036 0.606903 0.010000
C -3.419218 -5.530448 1.737121
C -3.074049 1.432233 -0.798713
C -0.859500 0.769291 -0.092063
C 4.244267 0.091276 -0.340092
C 5.618227 0.538753 -0.497012
C -4.536388 1.596967 -0.902509
C 3.695692 0.015823 0.997997
C 3.525278 -0.305141 -1.521853
C 6.399520 0.853565 0.662480
C 4.511476 0.289814 2.106354
C 6.183876 0.633027 -1.812155
C 2.265717 -0.361379 1.313752
C 5.863009 0.711897 1.943288
C -5.084738 1.949286 -2.172398
C -5.433805 1.498285 0.202466
C 4.109556 -0.212705 -2.787752
C 5.444464 0.276796 -2.940314
C -6.469907 2.144379 -2.345477
C -6.818789 1.704156 0.031469
C -7.347533 2.016486 -1.243154
H -1.485913 -2.057315 0.239980
H -3.049559 -2.008560 -0.620962
H -4.211415 -2.857478 1.470411
H -2.646443 -2.897710 2.316273
H -3.913753 -0.373772 1.104957
H -2.320722 -0.404886 1.913893
H -3.336320 -4.546226 -0.209090
H -1.781897 -4.585585 0.648820
H -2.944384 -5.463943 2.734169
H -4.511565 -5.421988 1.877904
H -3.228462 -6.544300 1.339059
H -2.511566 2.066139 -1.504884
H -0.487596 1.528064 -0.813555
H 2.520572 -0.729154 -1.426153
H 7.433116 1.193090 0.526104
H 4.082991 0.180202 3.107802
H 7.218863 0.980710 -1.913987
H 6.469666 0.933955 2.827237
H -4.410315 2.054777 -3.031479
H -5.041461 1.310004 1.206139
H 3.546709 -0.532502 -3.671590
H 1.651864 1.001954 -0.168052
H 5.886998 0.349487 -3.939485
H -6.864852 2.401418 -3.334745
H -7.486332 1.633532 0.897673
H -8.424123 2.173291 -1.372098


