%chk=000216626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216626

0 1
O 3.420080 2.730404 0.580976
N -1.522540 1.358894 -0.194857
N 1.596492 1.946500 -0.539964
N 5.450076 -3.270106 -0.379848
C -2.593904 0.318277 -0.056039
C -4.184874 -1.083670 -1.437274
C -3.080060 -2.073018 0.600375
C -4.865519 -0.311169 0.864450
C -3.106317 0.017646 -1.492664
C -1.996558 -0.974781 0.555255
C -3.790633 0.794630 0.816847
C -3.580950 -2.367906 -0.829590
C -5.366801 -0.606186 -0.565941
C -4.261119 -1.595233 1.472980
C -0.859387 1.764513 1.082445
C -0.094948 3.089407 0.936697
C 0.812974 3.179276 -0.304715
C 2.853572 1.783424 0.048928
C 3.481724 0.438873 -0.094452
C 4.884255 0.386041 -0.196633
C 2.743950 -0.753680 -0.091158
C 5.542261 -0.830853 -0.325532
C 3.381802 -1.983986 -0.214329
C 4.790807 -2.029489 -0.331800
H -4.545913 -1.295459 -2.468553
H -2.645423 -2.998752 1.039301
H -5.717740 0.031495 1.492904
H -3.517314 0.928181 -1.960191
H -2.262333 -0.300253 -2.131343
H -1.611095 -0.786863 1.571565
H -1.133000 -1.307495 -0.047288
H -4.220591 1.723724 0.407754
H -3.449056 1.035613 1.838242
H -2.750549 -2.733822 -1.457881
H -4.334518 -3.173967 -0.812432
H -6.158526 -1.374762 -0.541999
H -5.826137 0.296038 -1.004837
H -5.030056 -2.384172 1.539767
H -3.922196 -1.406813 2.506107
H -1.902646 2.189471 -0.662677
H -0.148610 0.952080 1.357100
H -1.575171 1.853369 1.930957
H 0.526611 3.231436 1.846523
H -0.801097 3.941235 0.920417
H 1.517301 4.038429 -0.183983
H 0.205616 3.371129 -1.216780
H 1.050585 1.149394 -0.866636
H 5.452600 1.321852 -0.170252
H 1.657404 -0.727320 0.015118
H 6.625374 -0.859259 -0.401213
H 2.802028 -2.901725 -0.202771
H 4.914270 -4.079353 -0.649641
H 6.400602 -3.285939 -0.714034


%chk=000216626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216626

0 1
O 3.481830 2.744821 0.106877
N -1.554138 1.673220 0.003715
N 1.304068 2.121883 -0.432117
N 4.462784 -3.603244 -0.759213
C -2.397456 0.444228 0.122761
C -3.584228 -1.306043 -1.316850
C -2.444870 -2.003144 0.836125
C -4.580187 -0.637476 0.917454
C -2.741570 -0.004941 -1.326006
C -1.605944 -0.696021 0.822589
C -3.737201 0.668871 0.898213
C -2.772296 -2.431173 -0.619793
C -4.906811 -1.064149 -0.539900
C -3.766690 -1.761517 1.614964
C -1.016240 2.300325 1.240629
C -0.228414 3.595394 0.920104
C 0.735141 3.465025 -0.298648
C 2.641704 1.838807 -0.222184
C 3.059124 0.404136 -0.392797
C 4.353155 0.035685 0.061008
C 2.252190 -0.601764 -0.989716
C 4.822741 -1.281804 -0.053111
C 2.710027 -1.925685 -1.116283
C 4.004522 -2.291548 -0.642546
H -3.813007 -1.601211 -2.359874
H -1.859943 -2.800176 1.335900
H -5.521698 -0.458014 1.473674
H -3.301225 0.805914 -1.839614
H -1.797932 -0.155620 -1.886906
H -1.359689 -0.411145 1.864304
H -0.646742 -0.857532 0.291688
H -4.310763 1.484236 0.409447
H -3.523879 0.992581 1.936736
H -1.834132 -2.625096 -1.178466
H -3.353761 -3.374905 -0.617414
H -5.520255 -1.987358 -0.536470
H -5.503752 -0.276188 -1.042079
H -4.363118 -2.695061 1.651980
H -3.543037 -1.474833 2.662366
H -2.045200 2.374035 -0.574643
H -0.326366 1.578430 1.713971
H -1.801270 2.539983 1.995442
H 0.345659 3.869041 1.825134
H -0.930145 4.430828 0.720504
H 1.576274 4.171893 -0.200079
H 0.189218 3.710586 -1.230540
H 0.594186 1.393367 -0.575613
H 4.976447 0.821415 0.501093
H 1.262608 -0.358069 -1.395977
H 5.825321 -1.541090 0.309344
H 2.073211 -2.682574 -1.591134
H 3.885615 -4.322508 -1.184694
H 5.390938 -3.859516 -0.435952


