%chk=000186952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186952

0 1
S -2.065435 -2.568742 -0.958477
O -2.363039 2.225111 0.682555
N -3.907167 -0.793098 -0.098425
N -3.940417 0.453642 0.607199
N -1.823482 0.066993 -0.187252
C -4.972922 -1.762695 0.282085
C -5.230475 1.193744 0.457130
C -6.335428 -1.064993 0.136857
C -6.370118 0.263498 0.904133
C -2.573283 -1.118376 -0.390819
C -2.669365 1.106500 0.367086
C -0.422534 0.245313 -0.495927
C 0.385771 0.933568 0.426498
C 0.106773 -0.246952 -1.697549
C 2.287484 0.616257 -1.053055
C 1.736552 1.116100 0.139323
C 1.465657 -0.063018 -1.963569
C 3.746287 0.829770 -1.355693
C 4.646154 0.295004 -0.271883
C 4.548576 -1.048815 0.123402
C 5.597490 1.128992 0.332809
C 5.396465 -1.549947 1.112970
C 6.445062 0.620550 1.322033
C 6.347533 -0.717483 1.713773
H -4.819908 -2.132668 1.321360
H -4.891589 -2.639799 -0.404577
H -5.390432 1.543077 -0.586747
H -5.160302 2.095113 1.110120
H -7.132051 -1.741034 0.504043
H -6.554497 -0.888209 -0.936179
H -7.341476 0.771717 0.749896
H -6.291862 0.071895 1.994358
H -0.040055 1.330764 1.349384
H -0.521993 -0.775054 -2.416733
H 2.374232 1.642660 0.850498
H 1.881979 -0.456108 -2.890502
H 3.922198 1.916397 -1.518817
H 4.027878 0.350562 -2.319749
H 3.803865 -1.696496 -0.337662
H 5.680227 2.172161 0.036437
H 5.315800 -2.592063 1.418549
H 7.182674 1.271460 1.788426
H 7.007175 -1.110796 2.483791


%chk=000186952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186952

0 1
S -2.195781 -2.659209 -1.160744
O -2.372797 2.193302 0.702079
N -3.981259 -0.800440 -0.200526
N -3.979909 0.460785 0.469403
N -1.908521 0.012906 -0.267493
C -5.076246 -1.740655 0.095526
C -5.244757 1.208570 0.577692
C -6.423096 -0.987037 0.093779
C -6.367520 0.249649 1.024643
C -2.683935 -1.138423 -0.564137
C -2.708458 1.034787 0.353194
C -0.504503 0.183200 -0.533774
C 0.320246 0.791339 0.443177
C 0.047352 -0.239811 -1.763572
C 2.270279 0.543218 -1.039906
C 1.692582 0.969316 0.183818
C 1.426404 -0.062787 -2.002581
C 3.753527 0.763462 -1.327999
C 4.707461 0.303272 -0.225161
C 4.566374 -0.976904 0.371525
C 5.776839 1.132461 0.196357
C 5.475019 -1.417854 1.357953
C 6.689121 0.694955 1.184581
C 6.542044 -0.583640 1.768371
H -4.895125 -2.216121 1.081896
H -5.028691 -2.528010 -0.673839
H -5.496955 1.665581 -0.402272
H -5.070409 2.021235 1.301399
H -7.215794 -1.682613 0.421981
H -6.667085 -0.668145 -0.937911
H -7.329396 0.792285 1.006006
H -6.184994 -0.072770 2.067632
H -0.112601 1.133221 1.386948
H -0.589409 -0.716557 -2.512679
H 2.328133 1.432947 0.946713
H 1.849501 -0.401659 -2.955859
H 3.931688 1.840682 -1.519618
H 4.009576 0.240146 -2.270977
H 3.735388 -1.623646 0.065343
H 5.896140 2.127483 -0.251152
H 5.351637 -2.409864 1.807516
H 7.509242 1.350808 1.498666
H 7.246690 -0.924962 2.535099


