%chk=000293718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293718

0 1
S 1.105729 -1.370926 0.346444
O -3.203742 -0.695759 -0.100838
O -4.604436 0.955415 -0.821610
O 0.137598 -1.797314 -0.645305
O 1.422097 -2.207969 1.486061
N -3.099192 1.305094 0.976918
N -2.836047 2.698244 0.654251
N 0.554071 0.111477 1.014973
C -1.829189 0.762684 1.613821
C -1.472740 2.957128 1.272086
C -0.674195 0.762755 0.533400
C -1.450898 1.985295 2.493638
C -0.448313 2.294194 0.309645
C -3.705414 0.585823 -0.105769
C 2.572403 -0.921030 -0.449467
C -3.845862 -1.665110 -1.009761
C 3.798237 -1.093579 0.201561
C 2.531362 -0.396863 -1.745173
C 4.985801 -0.730483 -0.440026
C 3.718521 -0.032833 -2.387990
C -2.878919 -2.824696 -1.022012
C 4.944204 -0.198429 -1.733780
H -2.024151 -0.202904 2.103586
H -1.302620 4.023316 1.471411
H -1.029069 0.260262 -0.404859
H -0.475039 1.903027 2.984092
H -2.186795 2.219600 3.274502
H -0.639765 2.575300 -0.739105
H 0.581502 2.603709 0.540978
H -3.575218 3.254439 1.119297
H 0.772717 0.316428 1.995220
H 3.830811 -1.523272 1.209455
H 1.574043 -0.279982 -2.263793
H -4.830007 -1.902394 -0.574351
H -3.970247 -1.179877 -1.993572
H 5.941265 -0.865564 0.065005
H 3.688258 0.374944 -3.397546
H -2.938261 -3.427438 -0.108656
H -3.041974 -3.481494 -1.882009
H -1.828422 -2.464176 -1.076767
H 5.870795 0.084958 -2.235152


%chk=000293718-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293718

0 1
S 0.987159 -0.903612 -0.202230
O -3.230454 -0.884494 0.093701
O -4.946804 0.714301 -0.204419
O 0.090847 -1.202472 -1.527012
O 0.879266 -1.854485 1.123213
N -3.047051 1.119252 1.138973
N -3.235203 2.587591 1.177398
N 0.660112 0.913695 0.210908
C -1.618903 0.806517 1.463327
C -1.835896 3.045170 1.503278
C -0.790143 1.244527 0.199323
C -1.310835 1.937763 2.472554
C -0.971950 2.812175 0.231153
C -3.843706 0.368976 0.282292
C 2.808758 -0.808357 -0.692439
C -3.958643 -1.840395 -0.787698
C 3.751954 -1.314980 0.214975
C 3.129495 -0.277228 -1.952200
C 5.113654 -1.269929 -0.167334
C 4.495713 -0.242321 -2.314172
C -3.019371 -3.025230 -0.995596
C 5.481096 -0.732252 -1.423052
H -1.495474 -0.238299 1.773388
H -1.855091 4.081032 1.871857
H -1.213334 0.788332 -0.710604
H -0.237280 2.030481 2.712664
H -1.890023 1.858348 3.406779
H -1.488235 3.180232 -0.668883
H 0.004506 3.321103 0.312945
H -3.883801 2.794529 1.960288
H 1.096295 1.051342 1.146248
H 3.427081 -1.747832 1.166980
H 2.344926 0.080738 -2.625744
H -4.904903 -2.124094 -0.290653
H -4.204988 -1.325490 -1.733880
H 5.879811 -1.658448 0.511430
H 4.787204 0.163857 -3.288152
H -2.802532 -3.530416 -0.038508
H -3.488052 -3.757538 -1.678759
H -2.063323 -2.687306 -1.430765
H 6.537016 -0.702784 -1.712774


