%chk=000206169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206169

0 1
S 2.008128 0.511044 -1.656638
O -7.522316 -0.080793 -0.961240
N -0.159073 0.091583 0.749934
N -2.943690 -0.679354 0.403742
N 2.233003 -1.998579 -1.789289
C 1.002609 0.725227 1.465629
C -0.789226 -0.978795 1.595217
C -1.209581 1.101057 0.384493
C -1.891065 -1.682114 0.776774
C -2.319406 0.403389 -0.426255
C 2.184549 -0.271178 1.617363
C 1.509469 1.946582 0.723805
C -4.068794 -1.346511 -0.332056
C 2.272536 -1.312296 0.547858
C -5.296185 -0.424095 -0.307699
C 2.034692 1.884949 -0.568414
C 1.498646 3.184416 1.393638
C 2.178417 -1.035394 -0.827320
C 2.453212 -2.659228 0.916615
C -6.524638 -1.122905 -0.887768
C 2.557819 3.033767 -1.185812
C 2.003099 4.330368 0.780527
C 2.537034 4.254463 -0.512338
C 2.523499 -3.656028 -0.055158
C 2.399825 -3.285309 -1.406143
H 0.703705 1.038727 2.506018
H -1.221603 -0.581601 2.539650
H -0.014496 -1.725421 1.867860
H -0.747731 1.887701 -0.251360
H -1.649330 1.604058 1.272527
H -1.434558 -2.179913 -0.107464
H -2.361728 -2.469980 1.401570
H -3.105662 1.145763 -0.682180
H -1.895551 0.023586 -1.382911
H 2.114178 -0.751529 2.615338
H 3.140410 0.300687 1.645645
H -3.806636 -1.614640 -1.378322
H -4.312909 -2.298138 0.189762
H -5.503635 -0.087214 0.729761
H -5.106342 0.511693 -0.872637
H 1.088566 3.250678 2.400745
H 2.539135 -2.925854 1.969849
H -6.896325 -1.932623 -0.236812
H -6.349403 -1.509982 -1.907221
H 2.984332 2.979603 -2.190354
H 1.984752 5.283627 1.306142
H 2.938731 5.146930 -0.989708
H 2.668466 -4.696480 0.220865
H 2.437068 -4.026990 -2.211534
H -8.377395 -0.454552 -1.239992


%chk=000206169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206169

0 1
S 2.120779 0.498745 -1.758000
O -7.673714 -0.123750 -0.967468
N -0.178501 0.122114 0.759105
N -2.969943 -0.659540 0.417087
N 2.409810 -2.085542 -1.820733
C 1.005729 0.728259 1.428327
C -0.785221 -0.972997 1.559100
C -1.227432 1.113749 0.401031
C -1.921762 -1.646561 0.774351
C -2.364774 0.438560 -0.379115
C 2.159424 -0.318692 1.614555
C 1.525935 1.965998 0.703563
C -4.126376 -1.302119 -0.253436
C 2.297711 -1.363402 0.522124
C -5.354174 -0.373519 -0.355718
C 2.084979 1.930243 -0.600699
C 1.518493 3.206340 1.391786
C 2.289527 -1.110748 -0.879871
C 2.463106 -2.721646 0.899441
C -6.591612 -1.118613 -0.863329
C 2.597166 3.115189 -1.191383
C 2.018372 4.389602 0.808156
C 2.557567 4.341901 -0.497186
C 2.605424 -3.744842 -0.062122
C 2.563529 -3.376054 -1.423506
H 0.728495 1.068928 2.461482
H -1.192015 -0.584173 2.527797
H -0.018845 -1.734025 1.785404
H -0.779657 1.901695 -0.227286
H -1.654325 1.599064 1.314994
H -1.483068 -2.132467 -0.134455
H -2.376699 -2.437031 1.401110
H -3.137259 1.195153 -0.601843
H -1.957758 0.058271 -1.350360
H 2.013688 -0.850627 2.572995
H 3.103352 0.249264 1.723675
H -3.852643 -1.677271 -1.275679
H -4.399697 -2.191375 0.350368
H -5.567269 0.054461 0.640654
H -5.160561 0.470028 -1.043988
H 1.097552 3.235731 2.404253
H 2.478669 -2.969392 1.968093
H -6.869048 -1.929231 -0.153491
H -6.383656 -1.578546 -1.855068
H 3.035339 3.067728 -2.194528
H 1.989594 5.333204 1.363104
H 2.956805 5.246213 -0.969054
H 2.738070 -4.790424 0.230572
H 2.655279 -4.117849 -2.224476
H -8.499785 -0.567604 -1.285627


