%chk=000219967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219967

0 1
O 4.519029 -0.529008 0.471025
N 4.964703 0.866159 -1.255497
N 6.371139 0.696518 -1.169886
C 0.362021 0.415975 0.458530
C -0.242305 -0.899274 0.294179
C -1.633441 -0.999403 0.047796
C -2.446427 0.208239 -0.026951
C 1.844791 0.532937 0.693115
C -1.827882 1.467512 0.148570
C -0.405503 1.538672 0.389084
C 2.607748 0.480080 -0.638889
C 0.531239 -2.088718 0.377770
C -2.211502 -2.287219 -0.120058
C -3.845911 0.163705 -0.268325
C -2.609727 2.652639 0.083446
C -0.052708 -3.328718 0.212489
C -1.439458 -3.428897 -0.041757
C -4.591679 1.324475 -0.329759
C -3.968315 2.581628 -0.151661
C 4.074410 0.212455 -0.391647
H 2.203976 -0.281322 1.366488
H 2.089304 1.470242 1.233296
H 0.032709 2.528566 0.513512
H 2.204907 -0.342042 -1.275167
H 2.427679 1.409747 -1.212775
H 1.602031 -2.016466 0.583770
H -3.282982 -2.364922 -0.311802
H -4.329738 -0.804901 -0.404787
H -2.122825 3.616433 0.222762
H 0.546014 -4.235837 0.278884
H -1.889200 -4.412068 -0.171432
H -5.663733 1.283477 -0.514458
H -4.570893 3.487068 -0.201619
H 4.693324 1.502659 -2.002896
H 6.602371 -0.303778 -1.265979
H 6.690635 0.958186 -0.224972


%chk=000219967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219967

0 1
O 4.570819 -0.676192 0.463093
N 5.020061 0.886387 -1.194955
N 6.434063 0.773189 -1.103683
C 0.362692 0.421006 0.443325
C -0.250482 -0.895716 0.278318
C -1.672437 -1.005823 0.040734
C -2.496501 0.205370 -0.026447
C 1.862837 0.559491 0.644658
C -1.861405 1.485858 0.155775
C -0.438396 1.550018 0.388062
C 2.659476 0.373043 -0.681548
C 0.533083 -2.092295 0.357326
C -2.235463 -2.310193 -0.114351
C -3.906296 0.183087 -0.259951
C -2.643948 2.681077 0.103148
C -0.048897 -3.356153 0.202225
C -1.446337 -3.465125 -0.039425
C -4.657164 1.366114 -0.309517
C -4.023603 2.628605 -0.126116
C 4.146771 0.143087 -0.408306
H 2.246397 -0.179479 1.371532
H 2.090756 1.558272 1.059500
H 0.015165 2.541037 0.521113
H 2.280180 -0.522489 -1.209462
H 2.493645 1.235956 -1.353840
H 1.607325 -2.023950 0.556605
H -3.309131 -2.421571 -0.292439
H -4.423457 -0.770295 -0.403924
H -2.143099 3.646118 0.246720
H 0.569065 -4.257940 0.270958
H -1.906571 -4.451763 -0.161689
H -5.736855 1.319491 -0.489467
H -4.615428 3.549566 -0.164457
H 4.675685 1.547129 -1.892997
H 6.728731 -0.191201 -1.314924
H 6.752520 1.041080 -0.161196


