%chk=000279286.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279286

0 1
S 4.585984 0.925576 0.070270
N -1.750966 -0.103440 -0.027372
C 0.659289 0.657718 -0.234219
C 1.486013 -1.426879 -0.590886
C 1.976104 0.658556 0.604986
C 2.548810 -0.789186 0.359955
C -0.363077 -0.262490 0.525363
C 1.041755 -0.216634 -1.456675
C 0.200631 -1.694401 0.237965
C 2.959599 1.736583 0.168127
C 3.946012 -0.748729 -0.245108
C -2.705473 -1.048477 0.648046
C -2.234462 1.311164 0.127331
C -4.098020 -0.935198 0.005116
C -3.616690 1.467374 -0.527468
C -4.632181 0.499490 0.091594
H 0.274311 1.657840 -0.470032
H 1.847401 -2.302971 -1.140106
H 1.749577 0.786161 1.685480
H 2.581588 -1.339429 1.324575
H -0.331516 -0.051486 1.620260
H 1.838987 0.207320 -2.077083
H 0.184808 -0.435192 -2.110326
H -0.510922 -2.297671 -0.352367
H 0.400530 -2.246611 1.164527
H 2.705494 2.173100 -0.814449
H 3.020503 2.570083 0.888489
H 4.627720 -1.482956 0.217266
H 3.945697 -0.944859 -1.332315
H -2.777802 -0.871733 1.742635
H -2.324168 -2.083538 0.509413
H -1.506783 1.979794 -0.386867
H -2.279501 1.633851 1.189567
H -4.793119 -1.638835 0.496916
H -4.035495 -1.244113 -1.057926
H -3.530271 1.269412 -1.615034
H -3.961854 2.511548 -0.424203
H -5.602886 0.577959 -0.431423
H -4.827025 0.772200 1.145677


%chk=000279286-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279286

0 1
S 4.737256 0.882482 0.381513
N -1.772512 -0.080651 -0.036920
C 0.682524 0.667213 -0.235292
C 1.490006 -1.428018 -0.616567
C 1.987852 0.627701 0.625248
C 2.557417 -0.828072 0.350245
C -0.378213 -0.234491 0.481841
C 1.074972 -0.194131 -1.468087
C 0.182274 -1.680899 0.188821
C 3.032128 1.693203 0.217386
C 3.980755 -0.738365 -0.247495
C -2.704874 -1.001028 0.678022
C -2.287396 1.314370 0.063314
C -4.121644 -0.961884 0.070238
C -3.690323 1.441456 -0.567139
C -4.690480 0.473164 0.100727
H 0.348229 1.694572 -0.445111
H 1.841220 -2.314146 -1.171779
H 1.756134 0.749453 1.699524
H 2.602082 -1.404492 1.292536
H -0.359029 -0.018976 1.583036
H 1.899209 0.235923 -2.064081
H 0.215026 -0.397111 -2.128770
H -0.535363 -2.227872 -0.447996
H 0.356276 -2.270848 1.106738
H 2.903511 2.016458 -0.830223
H 3.020263 2.578973 0.872461
H 4.637022 -1.560600 0.079457
H 3.963137 -0.705748 -1.350816
H -2.765677 -0.727251 1.766444
H -2.307226 -2.029051 0.626729
H -1.596318 1.994478 -0.461045
H -2.333095 1.646267 1.135979
H -4.778259 -1.655945 0.629954
H -4.069796 -1.319680 -0.976351
H -3.613680 1.208255 -1.646920
H -4.036800 2.488967 -0.474158
H -5.673187 0.515721 -0.405930
H -4.854819 0.781501 1.154165


