%chk=000216890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216890

0 1
S 5.679210 -1.659471 0.307381
O -0.510929 1.257414 -1.509662
O 1.445605 -0.924207 1.504460
N -3.154026 0.232242 0.668240
N -0.370490 0.217568 0.534878
N 2.777765 -1.218669 1.243005
C -6.427654 -0.386067 1.169203
C -6.125092 -1.264361 -0.050818
C -5.222388 -0.184352 2.096523
C -4.952520 -0.752298 -0.895958
C -4.211675 0.833461 1.548301
C -3.602888 -0.913390 -0.178332
C -2.507112 1.297309 -0.157611
C -1.060868 0.927950 -0.480588
C 0.961721 -0.168210 0.409154
C 1.964183 0.004748 -0.515472
C 3.110210 -0.679957 0.051725
C 4.419952 -0.792637 -0.531785
C 4.891671 -0.302874 -1.720853
C 6.275064 -0.629994 -1.953018
C 6.837049 -1.359377 -0.946268
H -6.812341 0.597258 0.834408
H -7.254921 -0.847030 1.745890
H -5.921697 -2.302806 0.278233
H -7.032225 -1.326467 -0.684890
H -5.579913 0.174491 3.082947
H -4.725858 -1.153375 2.301191
H -4.924518 -1.310217 -1.852833
H -5.119835 0.304752 -1.175796
H -4.763829 1.656905 1.043209
H -3.657362 1.291411 2.401326
H -3.633734 -1.799204 0.498990
H -2.805359 -1.134352 -0.921759
H -3.029803 1.503518 -1.121575
H -2.487386 2.267731 0.392579
H -0.884612 -0.111850 1.366977
H 1.916503 0.528205 -1.452604
H 4.307743 0.271412 -2.428078
H 6.790013 -0.312633 -2.849921
H 7.846446 -1.727677 -0.876299


%chk=000216890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216890

0 1
S 5.504240 -2.003537 0.387000
O -0.392998 1.716658 -1.638610
O 1.056898 -1.276394 1.097676
N -3.146945 0.325088 0.393819
N -0.533673 0.149717 0.115700
N 2.485872 -1.625498 0.980935
C -6.233996 -0.505999 1.508142
C -6.123110 -1.335528 0.206768
C -4.891009 -0.168315 2.205717
C -5.146806 -0.771438 -0.854641
C -4.043283 0.881165 1.453924
C -3.662856 -0.835463 -0.398723
C -2.543032 1.382656 -0.450883
C -1.051664 1.110312 -0.748618
C 0.775472 -0.292099 0.140206
C 1.913709 0.019311 -0.584639
C 2.943194 -0.827863 -0.030642
C 4.337039 -0.891394 -0.439293
C 4.969690 -0.170253 -1.449883
C 6.368771 -0.474523 -1.592677
C 6.814655 -1.430403 -0.691915
H -6.756734 0.448381 1.289529
H -6.880702 -1.057617 2.219061
H -5.795633 -2.365806 0.458783
H -7.134070 -1.430339 -0.236860
H -5.119815 0.249221 3.205363
H -4.294151 -1.084162 2.383842
H -5.249956 -1.372711 -1.779358
H -5.419918 0.268482 -1.128058
H -4.741758 1.640627 1.027937
H -3.392465 1.417567 2.172070
H -3.522929 -1.761261 0.193163
H -2.998515 -0.929306 -1.278068
H -3.056556 1.531066 -1.423858
H -2.587201 2.352354 0.080773
H -1.267488 -0.232558 0.750621
H 1.985109 0.745764 -1.386627
H 4.446374 0.558144 -2.074312
H 7.016690 -0.002142 -2.334520
H 7.813648 -1.847004 -0.574344


