%chk=000295702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295702

0 1
S 2.609689 -3.153269 0.146595
O -3.293996 -0.401569 -0.114609
O -2.219494 1.580533 -0.103650
N 0.530778 1.477649 0.000626
N 1.479331 -0.716257 0.068432
N 0.028130 -2.678955 0.043081
C 1.841642 2.229983 0.038588
C 1.466625 3.723981 0.002448
C 2.585220 1.904372 1.339705
C 2.680106 1.866941 -1.193082
C 0.361379 0.126332 0.014225
C -0.955099 -0.461656 -0.026318
C -1.048860 -1.875568 -0.009007
C -2.150626 0.358894 -0.083089
C 1.255938 -2.042309 0.079623
C -4.569473 0.333630 -0.173180
C -5.610849 -0.763293 -0.192966
C 4.057124 -2.083917 0.185092
H -0.331843 2.062656 -0.040130
H 0.918745 3.994213 -0.908293
H 2.367904 4.347836 0.027083
H 0.852322 4.020371 0.861188
H 2.882624 0.846127 1.378981
H 1.967661 2.095838 2.224091
H 3.497354 2.501529 1.434684
H 2.978482 0.808345 -1.178746
H 3.597424 2.462087 -1.237146
H 2.130619 2.031502 -2.126439
H -2.038359 -2.361638 -0.038831
H -4.622063 0.981404 0.718654
H -4.556123 0.951333 -1.087506
H -6.624407 -0.347227 -0.239212
H -5.478056 -1.428261 -1.057900
H -5.545268 -1.396408 0.702986
H 4.946601 -2.725769 0.227502
H 4.056222 -1.422008 1.061263
H 4.122195 -1.447551 -0.707443


%chk=000295702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295702

0 1
S 2.715497 -3.225542 0.149966
O -3.316873 -0.442602 -0.118647
O -2.149087 1.572363 -0.099688
N 0.556722 1.413922 0.001001
N 1.508689 -0.762030 0.067354
N 0.092271 -2.758677 0.038010
C 1.829214 2.201374 0.036882
C 1.399728 3.689699 0.002897
C 2.608701 1.910917 1.346142
C 2.699587 1.878206 -1.205825
C 0.399548 0.061783 0.013758
C -0.930788 -0.531985 -0.029522
C -0.996322 -1.948612 -0.014889
C -2.138245 0.297882 -0.086222
C 1.297796 -2.095437 0.077456
C -4.586874 0.345187 -0.174446
C -5.727481 -0.666370 -0.192010
C 4.147468 -2.011085 0.198356
H -0.339145 1.933369 -0.040632
H 0.836225 3.921514 -0.919927
H 2.292397 4.337675 0.030392
H 0.766598 3.942261 0.873703
H 2.891516 0.847489 1.396437
H 1.991562 2.156048 2.229310
H 3.525506 2.527357 1.379912
H 2.980593 0.813073 -1.210643
H 3.619424 2.490889 -1.188794
H 2.148292 2.103731 -2.136489
H -1.972158 -2.441243 -0.047234
H -4.621077 1.010454 0.707132
H -4.563292 0.976348 -1.081117
H -6.695492 -0.134596 -0.234155
H -5.656374 -1.327579 -1.072443
H -5.714740 -1.292395 0.716455
H 5.056441 -2.630479 0.253975
H 4.062488 -1.365909 1.084100
H 4.151286 -1.397097 -0.713254


