%chk=000216141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216141

0 1
O -1.245116 -0.438709 2.871251
N 2.124922 -0.740918 0.673667
N -4.303512 -0.535353 -0.061346
C -0.155199 -1.656882 1.119578
C 1.358036 -1.952012 1.120696
C -0.688869 -1.445897 -0.312048
C 1.906385 0.414457 1.606425
C -0.426853 -0.423281 1.979998
C 0.418490 0.784005 1.655431
C -2.060272 -0.877806 -0.352995
C 3.586310 -1.070479 0.563767
C -3.207743 -1.372436 0.257924
C -2.434447 0.315059 -1.079588
C -3.843732 0.509953 -0.881280
C -3.391639 -2.556976 1.140934
C 4.339455 0.060289 -0.097213
C -1.725881 1.234959 -1.872524
C -4.537913 1.591618 -1.455805
C -3.934133 -3.759804 0.372549
C -2.411498 2.299331 -2.436176
C 3.870699 0.617775 -1.296778
C 5.529451 0.535653 0.472275
C -3.803400 2.474889 -2.229431
C 4.588363 1.640913 -1.919844
C 6.245874 1.557705 -0.158039
C 5.778045 2.111626 -1.353205
H -0.700207 -2.526586 1.575622
H 1.662428 -2.311910 2.127678
H 1.570224 -2.776971 0.405376
H -0.668587 -2.416258 -0.851782
H 0.014423 -0.785098 -0.869075
H 2.486454 1.281093 1.213197
H 2.279321 0.216691 2.634921
H 0.086596 1.189280 0.672339
H 0.244490 1.594172 2.390347
H 3.684807 -1.977325 -0.080382
H 4.044813 -1.332139 1.543321
H -5.241060 -0.654567 0.266539
H -2.411312 -2.812335 1.614058
H -4.056951 -2.308956 1.995444
H -0.658701 1.102185 -2.034872
H -5.601887 1.722397 -1.294039
H -4.922209 -3.556283 -0.055725
H -4.027868 -4.636315 1.023283
H -3.272522 -4.031718 -0.459857
H -1.882007 3.022292 -3.052692
H 2.937803 0.252943 -1.728648
H 5.901051 0.113281 1.403152
H -4.296390 3.327471 -2.693832
H 4.220992 2.072693 -2.849352
H 7.170555 1.922944 0.285388
H 6.336818 2.907039 -1.841530


%chk=000216141-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216141

0 1
O -1.335890 -0.783932 2.967709
N 2.180156 -0.750172 0.853825
N -4.114551 -0.653291 -0.348463
C -0.021467 -1.876288 1.218617
C 1.526461 -2.020221 1.246531
C -0.520267 -1.733205 -0.264801
C 1.858035 0.341656 1.803977
C -0.438489 -0.684537 2.086275
C 0.330774 0.606126 1.839038
C -1.877909 -1.095655 -0.449540
C 3.635030 -0.904088 0.614030
C -3.109257 -1.562188 0.030476
C -2.139009 0.149369 -1.153084
C -3.555275 0.402703 -1.074700
C -3.417850 -2.772978 0.875984
C 4.255764 0.283761 -0.115672
C -1.316873 1.079191 -1.845150
C -4.156740 1.536425 -1.661252
C -4.829961 -3.370195 0.667241
C -1.910212 2.215146 -2.431194
C 3.578074 0.906127 -1.195012
C 5.543029 0.752376 0.243813
C -3.315336 2.442537 -2.340804
C 4.177550 1.972094 -1.900576
C 6.148836 1.816430 -0.463764
C 5.467210 2.430103 -1.539266
H -0.474059 -2.776239 1.675072
H 1.846362 -2.352743 2.267503
H 1.831009 -2.809148 0.531638
H -0.496184 -2.749435 -0.709388
H 0.235978 -1.134629 -0.804386
H 2.385890 1.256267 1.483499
H 2.212972 0.094956 2.837861
H 0.015028 1.016007 0.859947
H 0.073017 1.340093 2.621398
H 3.764059 -1.816144 -0.003552
H 4.199931 -1.083768 1.564184
H -5.101362 -0.760082 -0.125932
H -2.659476 -3.548495 0.656090
H -3.279715 -2.510707 1.945301
H -0.235187 0.915955 -1.928984
H -5.235923 1.715442 -1.593277
H -5.626637 -2.668784 0.982049
H -4.952584 -4.283104 1.276435
H -5.004424 -3.638021 -0.390603
H -1.285833 2.939077 -2.967060
H 2.576068 0.549728 -1.460307
H 6.073670 0.285145 1.083254
H -3.747493 3.335615 -2.806005
H 3.642441 2.445608 -2.731805
H 7.145157 2.168424 -0.172990
H 5.932356 3.257390 -2.087079


