%chk=000187189.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187189

0 1
S 0.652911 -1.939372 -1.629241
O -0.924582 -1.383690 1.109487
O 1.601929 -0.465674 1.490241
O 2.518606 2.349304 -2.317778
O 0.609545 1.903201 -1.233870
N 2.931509 -3.024428 1.579354
N 2.978670 -0.053139 -0.276363
C -1.071582 -0.498555 -0.022659
C 2.464574 -2.419290 0.306263
C -1.038352 -1.407038 -1.250008
C 1.137710 -2.974714 -0.220034
C -2.404231 0.216591 0.079215
C 2.278382 -0.912109 0.575125
C -2.556401 1.472077 -0.525944
C -3.476064 -0.366537 0.765852
C -3.784007 2.134625 -0.450651
C -4.701491 0.301592 0.841349
C 2.794195 1.400071 -0.173667
C -4.857438 1.550138 0.230903
C 1.814882 1.879946 -1.235733
H -0.228550 0.238150 -0.015900
H 3.278527 -2.600670 -0.449471
H -1.409930 -0.876808 -2.151429
H -1.696766 -2.285106 -1.095746
H 1.233560 -4.024466 -0.547004
H 0.339996 -2.947357 0.562601
H -1.713066 1.932916 -1.046079
H -3.336274 -1.335737 1.247836
H 2.929849 -4.038669 1.519750
H 2.326237 -2.758990 2.357110
H 3.482217 -0.388408 -1.092987
H -0.331038 -0.960089 1.783257
H -3.903746 3.109015 -0.919906
H -5.533588 -0.150565 1.377160
H 3.776351 1.920394 -0.287529
H 2.385633 1.666949 0.840654
H -5.811947 2.068883 0.288796
H 1.934468 2.672961 -3.056456


%chk=000187189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187189

0 1
S -0.483382 -2.040749 -1.890152
O -1.158310 0.177329 0.455778
O 1.344907 0.554422 -0.438053
O 6.154073 0.500997 0.152772
O 5.982582 2.812790 0.349207
N 3.273613 -2.522098 -0.206592
N 3.612841 0.112795 -0.422232
C -2.173139 -0.123816 -0.539905
C 2.139340 -1.791950 -0.826483
C -2.087647 -1.610140 -0.975229
C 0.727913 -2.315867 -0.446961
C -3.554711 0.152080 0.057254
C 2.308415 -0.275995 -0.537654
C -4.700100 0.182180 -0.778704
C -3.711438 0.354365 1.449277
C -5.983307 0.406389 -0.232300
C -4.995457 0.577105 1.997287
C 3.975076 1.508167 -0.194222
C -6.135652 0.601372 1.160896
C 5.443950 1.710184 0.130567
H -2.033035 0.505834 -1.446330
H 2.264390 -1.904353 -1.922992
H -2.888545 -1.868179 -1.689683
H -2.175229 -2.269468 -0.094769
H 0.784260 -3.402359 -0.263658
H 0.313724 -1.804263 0.437679
H -4.590367 0.044544 -1.862693
H -2.813610 0.354888 2.073354
H 3.477780 -3.422471 -0.651034
H 3.196092 -2.615338 0.813299
H 4.316950 -0.639483 -0.410202
H -0.266128 0.358955 0.017815
H -6.859905 0.435237 -0.889797
H -5.106063 0.737874 3.076169
H 3.372426 1.936121 0.630719
H 3.738472 2.134138 -1.077562
H -7.130120 0.777910 1.586760
H 7.110037 0.676254 0.364870


