%chk=000299771.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299771

0 1
O -3.989826 -0.138651 2.065615
N -1.666547 -3.120265 0.124316
N 3.674877 -0.244001 0.262705
N -4.677818 0.764709 0.091542
N 4.866161 1.779327 0.962429
C -0.732925 -1.193985 -1.092823
C -0.378667 -2.430510 -0.197091
C -1.718259 -0.252322 -0.374274
C -2.978435 -1.028466 0.039462
C 0.496363 -2.088858 1.050015
C 0.510349 -0.424233 -1.471626
C -2.607947 -2.255033 0.901762
C 1.590050 -0.522987 -0.578840
C 1.676353 -1.292072 0.636390
C 2.825584 0.151982 -0.788236
C -1.454821 -4.423595 0.819016
C 2.938796 -1.086515 1.154532
C 0.682587 0.375984 -2.589314
C -3.904205 -0.116718 0.847075
C 2.985331 0.975565 -1.924222
C 1.911361 1.064859 -2.795701
C 4.994477 0.332083 0.570054
C -5.609224 1.735663 0.735536
C -7.028748 1.503437 0.205760
C -5.133693 3.166066 0.456285
C 6.218022 2.408799 1.024549
C 4.145351 1.944160 2.256374
H -1.221950 -1.593541 -2.017269
H 0.214443 -3.138320 -0.836503
H -1.228472 0.191320 0.517100
H -1.976936 0.596850 -1.032888
H -3.501553 -1.397593 -0.878305
H 0.798860 -3.021828 1.560837
H -0.101956 -1.512693 1.787766
H -2.201290 -1.917345 1.881751
H -3.524980 -2.841655 1.126668
H -0.743377 -5.035522 0.242050
H -2.412176 -4.971072 0.834403
H -1.087148 -4.345133 1.852705
H 3.391365 -1.479475 2.043284
H -0.110934 0.492821 -3.320041
H 3.905923 1.525788 -2.084845
H 1.997902 1.692174 -3.683086
H 5.488287 -0.299946 1.347217
H 5.616404 0.289778 -0.361279
H -4.599893 0.807550 -0.917115
H -5.587007 1.544308 1.846525
H -7.743783 2.167491 0.704574
H -7.109708 1.686763 -0.870419
H -7.357107 0.472862 0.390241
H -4.112348 3.323086 0.825709
H -5.777208 3.896373 0.959691
H -5.138077 3.408612 -0.611082
H 6.898137 1.980228 1.774908
H 6.697312 2.344354 0.034447
H 6.096118 3.482751 1.246917
H 4.633755 1.479987 3.124372
H 4.019767 3.020245 2.459549
H 3.128981 1.522159 2.158429


%chk=000299771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299771

0 1
O -3.652077 0.606260 1.931448
N -1.728579 -2.827431 0.032770
N 3.776049 -0.222340 0.502622
N -5.071083 0.638738 0.081252
N 5.424834 1.514093 0.969501
C -0.641774 -0.888305 -1.064651
C -0.410731 -2.183665 -0.210646
C -1.646572 0.061199 -0.352731
C -2.981681 -0.673639 -0.055995
C 0.441887 -1.938262 1.096290
C 0.672879 -0.180656 -1.367832
C -2.706814 -1.974058 0.741519
C 1.720414 -0.377120 -0.442377
C 1.708901 -1.201548 0.737355
C 3.003407 0.229732 -0.582445
C -1.648263 -4.192213 0.582589
C 2.980089 -1.094321 1.294300
C 0.945455 0.659894 -2.465154
C -3.920121 0.237891 0.743475
C 3.272544 1.090710 -1.671830
C 2.225620 1.284893 -2.602779
C 5.187855 0.077048 0.736144
C -6.079449 1.542629 0.676541
C -7.445681 0.830174 0.799448
C -6.181349 2.853547 -0.136394
C 6.855287 1.866423 0.900948
C 4.753206 2.029787 2.178025
H -1.113194 -1.223817 -2.010985
H 0.173311 -2.883288 -0.843218
H -1.219520 0.434495 0.597033
H -1.829582 0.947785 -0.989403
H -3.447319 -0.959746 -1.022097
H 0.656805 -2.910501 1.578153
H -0.157234 -1.351170 1.821021
H -2.386966 -1.690292 1.772267
H -3.646313 -2.550991 0.844132
H -0.937837 -4.789594 -0.017599
H -2.640624 -4.675886 0.517012
H -1.320887 -4.240423 1.650319
H 3.404645 -1.556452 2.184764
H 0.176615 0.843810 -3.225972
H 4.232851 1.602639 -1.779269
H 2.400461 1.943233 -3.461978
H 5.512048 -0.562529 1.596763
H 5.790500 -0.216387 -0.146606
H -5.229640 0.300683 -0.870734
H -5.691581 1.767027 1.686729
H -8.181868 1.491347 1.291719
H -7.847662 0.561909 -0.197090
H -7.353006 -0.092728 1.397924
H -5.199248 3.354151 -0.194189
H -6.898315 3.547417 0.338907
H -6.535104 2.657676 -1.167449
H 7.469174 1.417903 1.722989
H 7.279476 1.533489 -0.063912
H 6.964618 2.963504 0.960458
H 5.167704 1.602175 3.126425
H 4.861984 3.127569 2.217989
H 3.677354 1.793328 2.132106


