%chk=000271681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271681

0 1
S 0.744008 -1.149843 0.488267
O -0.382225 1.930120 -0.367051
O -2.497588 -2.287693 -1.293232
O 0.869723 -2.585301 0.624779
O -0.120365 -0.408019 1.398018
O -4.228078 0.660963 1.766559
N -0.010533 -0.873316 -1.055154
N -2.371159 1.353409 0.575535
N -3.366377 -0.830840 0.230701
N 6.131860 1.176812 0.009371
C -1.306432 -0.187556 -1.133345
C -1.642315 0.240170 -2.592513
C -1.254967 1.092582 -0.262911
C -2.418399 -1.209691 -0.744877
C -0.565224 1.098193 -3.239401
C -3.373112 0.406413 0.944820
C 2.288416 -0.461719 0.348491
C -2.317744 2.593368 1.406122
C -4.388340 -1.834641 0.647546
C 2.458028 0.928680 0.231316
C 3.421482 -1.296565 0.362849
C 3.724535 1.485311 0.133750
C 4.698454 -0.769531 0.267412
C 4.862112 0.637524 0.148127
H -2.610799 0.781721 -2.592358
H -1.805874 -0.675434 -3.203344
H 0.088980 -1.587160 -1.791711
H -0.348446 2.000746 -2.646848
H 0.385626 0.557169 -3.330897
H -0.866300 1.420483 -4.242196
H -1.677664 2.438855 2.293204
H -3.332987 2.866675 1.744733
H -1.897012 3.420671 0.808574
H -4.567551 -2.552625 -0.173522
H -5.336703 -1.329995 0.904005
H -4.037589 -2.394324 1.532281
H 1.576983 1.590570 0.216451
H 3.290111 -2.383911 0.456014
H 3.839544 2.561412 0.040529
H 5.564183 -1.424769 0.278974
H 6.273827 2.170944 0.041468
H 6.949413 0.607244 0.136867


%chk=000271681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271681

0 1
S 0.808405 -1.305513 0.318949
O -0.318380 1.938619 -0.338350
O -2.267125 -2.402561 -1.078023
O 1.036472 -2.917972 0.296051
O -0.163432 -0.626706 1.454069
O -4.354308 0.751030 1.641786
N 0.011304 -0.749030 -1.344586
N -2.380520 1.377810 0.547651
N -3.341250 -0.821235 0.258511
N 6.333464 1.159825 0.326334
C -1.334298 -0.159682 -1.126423
C -1.864716 0.264688 -2.562292
C -1.255368 1.100806 -0.252025
C -2.332731 -1.228648 -0.620225
C -0.967975 1.262522 -3.316499
C -3.412124 0.458705 0.860726
C 2.493871 -0.511211 0.286959
C -2.377529 2.671625 1.274878
C -4.370352 -1.802928 0.683878
C 2.614893 0.887946 0.195913
C 3.601127 -1.375565 0.378587
C 3.906170 1.440749 0.207788
C 4.887872 -0.812368 0.393475
C 5.060892 0.603450 0.310903
H -2.883996 0.680069 -2.432274
H -1.970622 -0.672964 -3.141131
H -0.111059 -1.661008 -1.840781
H -0.895861 2.230114 -2.793222
H 0.054805 0.866328 -3.423251
H -1.388333 1.440323 -4.323349
H -1.579759 2.668599 2.036098
H -3.357173 2.793217 1.756292
H -2.183145 3.488837 0.563417
H -4.225173 -2.712430 0.084217
H -5.374361 -1.380537 0.524615
H -4.249032 -2.033670 1.754551
H 1.728680 1.522728 0.092485
H 3.448683 -2.457876 0.438779
H 4.027105 2.527497 0.131732
H 5.764618 -1.465655 0.468710
H 6.463917 2.166108 0.273663
H 7.159847 0.573061 0.398814


