%chk=000216097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216097

0 1
O -3.682925 1.035501 -0.778000
N 1.951039 -0.200716 -0.449245
C 1.503222 1.056836 0.256156
C 3.283762 -0.044867 -1.125144
C 2.140943 -1.361953 0.484525
C 0.169865 0.810858 1.004748
C 4.378332 -0.596508 -0.183480
C 3.637144 -1.449506 0.860912
C -0.977098 0.375191 0.086387
C -2.227141 -0.011196 0.885443
C 1.343246 2.183804 -0.775354
C -3.474125 -0.175756 -0.011485
C -4.724105 -0.415514 0.847826
C -3.311819 -1.244234 -1.090264
H 2.262567 1.378589 1.018716
H 3.484371 0.999804 -1.425075
H 3.232292 -0.643696 -2.059439
H 1.823571 -2.268008 -0.074168
H 1.490721 -1.291748 1.377311
H -0.107348 1.736826 1.542767
H 0.330805 0.041689 1.788509
H 4.936629 0.222306 0.298241
H 5.117593 -1.192171 -0.741750
H 3.987416 -2.493657 0.852798
H 3.813279 -1.068899 1.879833
H -0.645272 -0.475849 -0.543620
H -1.228139 1.185738 -0.627946
H -2.427574 0.752417 1.660002
H -2.047935 -0.952967 1.436594
H 0.855106 3.057950 -0.334462
H 0.730384 1.854783 -1.625933
H 2.309530 2.506276 -1.178418
H -4.829673 0.325220 1.644819
H -4.710042 -1.405624 1.312709
H -5.628464 -0.353849 0.229014
H -2.527403 -0.956301 -1.804339
H -4.233385 -1.356659 -1.674162
H -3.047958 -2.215870 -0.665976
H -3.734812 1.814957 -0.201154


%chk=000216097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216097

0 1
O -3.870047 1.303286 -0.631807
N 1.943570 -0.442562 -0.243926
C 1.518501 0.872854 0.354897
C 3.077174 -0.404365 -1.213403
C 2.441687 -1.414435 0.779855
C 0.128951 0.704389 1.035576
C 4.383638 -0.375367 -0.357912
C 3.997445 -1.196295 0.914334
C -1.029326 0.395793 0.061520
C -2.319110 -0.007029 0.807780
C 1.477865 2.005430 -0.694397
C -3.601327 -0.054700 -0.069790
C -4.816974 -0.494902 0.778016
C -3.442335 -0.946405 -1.312946
H 2.236040 1.188431 1.155759
H 2.983955 0.432887 -1.920213
H 3.044847 -1.341954 -1.803958
H 2.239865 -2.441859 0.420879
H 1.912311 -1.285486 1.737866
H -0.090948 1.632897 1.603742
H 0.189916 -0.108180 1.788487
H 4.639469 0.666276 -0.088621
H 5.247620 -0.804209 -0.895766
H 4.525238 -2.166156 0.947572
H 4.253806 -0.649480 1.838696
H -0.700189 -0.417291 -0.611889
H -1.248971 1.277995 -0.570091
H -2.502095 0.710495 1.639070
H -2.177542 -0.998788 1.284920
H 0.968612 2.886826 -0.264122
H 0.918880 1.694321 -1.594500
H 2.488418 2.326168 -1.003760
H -4.931437 0.149357 1.671984
H -4.704575 -1.537786 1.127805
H -5.741483 -0.424538 0.178306
H -2.657942 -0.548026 -1.976720
H -4.388810 -0.973586 -1.880642
H -3.171344 -1.977526 -1.022817
H -4.006754 1.926716 0.128111


