%chk=000117685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117685

0 1
S 0.278657 2.205631 -0.429870
S 3.145927 3.047788 -0.664077
O -2.331474 1.301722 -0.164988
O 1.172334 -1.450252 0.333853
N -2.169400 -0.943648 0.273887
N 2.246173 0.567442 -0.091837
C -3.559725 -0.617463 0.221175
C -1.443992 0.217175 0.002952
C -1.652990 -2.335197 0.279723
C -3.635428 0.780186 -0.032473
C -0.124578 0.538076 -0.080500
C -4.723336 -1.361921 0.389348
C 1.060303 -0.268253 0.085938
C -4.826972 1.477502 -0.125049
C -1.761035 -2.979452 -1.095005
C 3.582850 0.004541 0.033787
C 2.031465 1.907884 -0.386578
C -5.937973 -0.666683 0.298084
C -5.991049 0.713263 0.048198
C 3.941375 -1.082809 -0.777980
C 4.480134 0.547119 0.966476
C 5.222718 -1.625069 -0.652321
C 5.758521 -0.006530 1.070917
C 6.131158 -1.088277 0.265818
H -0.580662 -2.319323 0.623557
H -2.229740 -2.907410 1.041635
H -4.695748 -2.431071 0.584098
H -4.855015 2.547983 -0.318320
H -2.790577 -3.002785 -1.470999
H -1.149893 -2.452236 -1.841557
H -1.394457 -4.015024 -1.065560
H -6.871170 -1.218384 0.425892
H -6.961672 1.208354 -0.013108
H 3.228305 -1.504234 -1.484824
H 4.192084 1.390920 1.593514
H 5.512988 -2.469683 -1.275696
H 6.467652 0.410410 1.785196
H 7.129441 -1.512593 0.354196


%chk=000117685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117685

0 1
S 0.330396 2.350139 -0.595781
S 3.294054 3.097308 -0.917894
O -2.374360 1.346863 -0.147930
O 1.177086 -1.385734 0.476855
N -2.155592 -0.899532 0.194099
N 2.277101 0.620067 -0.152465
C -3.541355 -0.598404 0.214460
C -1.442527 0.279779 -0.020188
C -1.646081 -2.294478 0.203028
C -3.671587 0.792192 0.004534
C -0.099661 0.619833 -0.134358
C -4.679848 -1.404496 0.394706
C 1.090220 -0.176660 0.091693
C -4.896328 1.457141 -0.036922
C -1.776931 -2.964618 -1.179691
C 3.586307 0.018360 0.022013
C 2.113204 1.956032 -0.534125
C -5.937950 -0.751402 0.360232
C -6.047798 0.646921 0.150060
C 3.944774 -1.098806 -0.763224
C 4.478527 0.546457 0.980778
C 5.212930 -1.693123 -0.585083
C 5.746278 -0.050568 1.149503
C 6.116303 -1.170095 0.368515
H -0.589339 -2.265381 0.514256
H -2.225014 -2.843469 0.967778
H -4.607703 -2.483906 0.554011
H -4.960897 2.535359 -0.201122
H -2.820984 -2.983011 -1.540200
H -1.157823 -2.439846 -1.927897
H -1.415778 -4.006278 -1.113832
H -6.847763 -1.344402 0.498380
H -7.037293 1.113864 0.130589
H 3.238087 -1.499315 -1.495815
H 4.184906 1.414235 1.578221
H 5.494140 -2.560757 -1.191556
H 6.442380 0.358542 1.889493
H 7.101118 -1.631111 0.502379


