%chk=000197690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197690

0 1
S -3.198221 1.947739 0.607833
O -5.051346 -1.829200 -1.475540
O 2.901815 0.035046 -1.069996
O 3.535787 1.805606 0.166067
N -0.638279 2.841686 0.411663
N 0.734129 -1.115569 -0.217800
C -4.843843 -1.803616 -0.059552
C -2.284707 -0.436954 0.123011
C -3.573459 -2.588187 0.312460
C -2.281610 -1.906045 -0.162246
C -4.808709 -0.344695 0.445789
C -3.449455 0.228238 0.366492
C -1.117345 0.430693 0.124592
C -1.474253 1.776159 0.366745
C 0.277380 0.168363 -0.071356
C 1.181200 1.276363 -0.050652
C 0.677877 2.594882 0.200986
C 1.575328 3.780985 0.237030
C 2.619901 1.129021 -0.243846
C 4.302900 -0.347232 -1.244445
C 4.596276 -1.442228 -0.357690
C 4.844843 -2.352722 0.395406
C 5.150744 -3.430021 1.286986
H -5.755879 -2.328820 0.310716
H -2.158941 -2.060114 -1.257505
H -1.415012 -2.403761 0.323963
H -3.638272 -3.604098 -0.124935
H -3.542905 -2.720644 1.411980
H -5.180040 -0.304015 1.493242
H -5.533996 0.253465 -0.151395
H -4.357175 -1.318705 -1.941044
H 1.710307 -1.308815 -0.450257
H 0.097256 -1.898152 -0.237161
H 2.407962 3.635215 0.951267
H 2.041574 3.966312 -0.742966
H 1.042438 4.701065 0.528248
H 4.333292 -0.635181 -2.316139
H 4.954518 0.536513 -1.055470
H 6.231098 -3.468124 1.519547
H 4.872983 -4.410178 0.861386
H 4.618041 -3.323675 2.249686


%chk=000197690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197690

0 1
S -3.432588 2.084965 -0.120573
O -4.601151 -2.150581 -1.541854
O 3.019204 -0.040025 0.019526
O 3.402274 2.235360 -0.148279
N -0.826788 2.985906 -0.195307
N 0.645956 -0.997005 0.105690
C -4.839020 -1.868933 -0.111973
C -2.377372 -0.363179 0.178480
C -3.717909 -2.463433 0.767406
C -2.330983 -1.871465 0.407433
C -4.965028 -0.347544 0.145279
C -3.597729 0.291479 0.093418
C -1.238408 0.547288 0.055280
C -1.629062 1.904384 -0.088797
C 0.182685 0.293902 0.039294
C 1.079385 1.436269 -0.060969
C 0.516037 2.770210 -0.169773
C 1.341588 4.034883 -0.271779
C 2.553172 1.310866 -0.070755
C 4.512563 -0.186371 0.006584
C 4.838709 -1.608810 0.084699
C 5.166336 -2.796727 0.147021
C 5.561663 -4.210715 0.222852
H -5.798875 -2.369840 0.098114
H -1.948440 -2.386751 -0.499834
H -1.636103 -2.109913 1.236856
H -3.694056 -3.560773 0.644874
H -3.952363 -2.248881 1.828588
H -5.441102 -0.174071 1.131426
H -5.636621 0.093235 -0.615534
H -3.894114 -1.535032 -1.868398
H 1.661280 -1.146659 0.095669
H -0.000806 -1.777768 0.130738
H 2.007378 4.162837 0.599186
H 2.006853 4.022460 -1.152451
H 0.643809 4.883217 -0.339688
H 4.894679 0.278770 -0.920346
H 4.920530 0.382665 0.861756
H 6.555104 -4.316456 0.695886
H 5.612759 -4.669333 -0.781230
H 4.840758 -4.791829 0.826584


