%chk=000187728.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187728

0 1
S 1.316588 -1.357394 -0.129627
O 3.193080 1.254522 2.348541
O 0.470121 -1.900765 -1.182852
O 1.342651 -2.030813 1.154984
N 0.851136 0.270026 0.188670
C 1.914934 1.748893 1.826329
C 0.842334 0.693304 1.609052
C 2.363408 2.086138 3.221030
C -0.051925 1.054889 -0.704648
C -1.524333 0.802767 -0.406066
C 0.273041 0.804094 -2.178455
C 2.922833 -1.192106 -0.743948
C -2.137774 -0.422646 -0.697902
C -2.286070 1.827231 0.173881
C -4.253131 0.401805 0.170293
C -5.722782 0.200120 0.488789
C -3.489017 -0.621196 -0.411499
C -3.639041 1.629475 0.459425
C 3.950267 -0.733312 0.084989
C 3.191423 -1.535672 -2.074098
C -6.516837 -0.077566 -0.794059
C -5.899834 -0.929350 1.511464
C 5.250692 -0.613973 -0.418925
C 4.488801 -1.417883 -2.577212
C 5.518403 -0.956193 -1.747235
H 2.041736 2.476989 1.018232
H -0.150335 1.103020 1.911691
H 1.024333 -0.184165 2.286769
H 1.959888 1.560322 4.083550
H 2.792148 3.058978 3.448938
H 0.175957 2.140148 -0.489857
H 0.026670 -0.223708 -2.497684
H 1.331220 0.979580 -2.400020
H -0.317279 1.473467 -2.816495
H -1.553269 -1.234833 -1.151745
H -1.829225 2.788570 0.401289
H -6.128074 1.141008 0.944751
H -3.950660 -1.580547 -0.641186
H -4.215694 2.435676 0.908033
H 3.748735 -0.461351 1.131218
H 2.384534 -1.902418 -2.719353
H -6.212385 -1.018181 -1.266679
H -7.589914 -0.147605 -0.587834
H -6.368596 0.719444 -1.531543
H -5.313053 -0.738986 2.417407
H -6.948562 -1.034786 1.807831
H -5.573581 -1.896527 1.112350
H 6.049723 -0.254220 0.228131
H 4.699920 -1.687457 -3.610340
H 6.531796 -0.865016 -2.139473


%chk=000187728-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187728

0 1
S 1.443567 -1.429750 -0.076038
O 3.061346 1.482535 2.356726
O 0.499708 -2.224715 -1.156202
O 1.665735 -2.086816 1.403911
N 0.973633 0.428705 0.248610
C 1.588154 1.786158 2.193936
C 0.721482 0.641510 1.696408
C 2.195067 1.749035 3.564934
C -0.001577 1.078143 -0.699853
C -1.490475 0.841783 -0.408507
C 0.382190 0.824469 -2.174160
C 3.131373 -1.194713 -0.890244
C -2.097044 -0.435650 -0.543723
C -2.300290 1.928852 0.002240
C -4.287836 0.481161 0.136961
C -5.778409 0.291024 0.430676
C -3.469999 -0.606167 -0.273523
C -3.677998 1.752506 0.267166
C 4.108577 -0.463113 -0.194209
C 3.335122 -1.811524 -2.133894
C -6.556268 -0.159536 -0.834695
C -6.008898 -0.701187 1.601902
C 5.378801 -0.346306 -0.805645
C 4.614735 -1.681145 -2.723365
C 5.629935 -0.952466 -2.060525
H 1.415126 2.767328 1.730965
H -0.348337 0.852246 1.903156
H 0.995162 -0.285292 2.239984
H 2.018414 0.871719 4.199929
H 2.412941 2.686895 4.089826
H 0.195370 2.156538 -0.505418
H 0.176219 -0.214639 -2.478283
H 1.453706 1.040039 -2.333502
H -0.210593 1.493616 -2.821325
H -1.489325 -1.294129 -0.855110
H -1.854282 2.927049 0.109378
H -6.184793 1.275392 0.740733
H -3.910086 -1.604910 -0.383131
H -4.285074 2.610751 0.581914
H 3.890902 0.010619 0.769605
H 2.524375 -2.369858 -2.612907
H -6.200019 -1.143963 -1.190957
H -7.636230 -0.250783 -0.614335
H -6.429683 0.563590 -1.660446
H -5.488507 -0.367276 2.517577
H -7.087881 -0.790682 1.827794
H -5.632613 -1.709685 1.348748
H 6.166881 0.220365 -0.298999
H 4.813973 -2.149675 -3.692803
H 6.618721 -0.856246 -2.522380


