%chk=000185221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185221

0 1
S -3.780518 0.871881 -0.866751
O -2.728290 0.281707 1.478957
N -1.694405 -0.736892 -0.312627
C 0.600334 -0.733561 0.821704
C -0.749745 -1.483269 0.565010
C 1.385507 -0.607643 -0.512981
C 0.331129 0.648561 1.425625
C 1.389472 -1.595295 1.824984
C 2.757560 -0.011616 -0.357603
C -1.738794 -1.108966 -1.751156
C -2.640871 0.066090 0.288307
C 2.936935 1.380367 -0.404762
C 3.876657 -0.843261 -0.188512
C -2.746420 -2.222370 -2.029963
C 4.214977 1.929769 -0.276986
C 5.152796 -0.288685 -0.061976
C 5.326111 1.098140 -0.105039
C -4.756277 1.923898 0.270002
C -6.221310 1.665587 0.008650
H -0.554197 -2.483793 0.127438
H -1.245799 -1.659567 1.551332
H 1.463548 -1.606101 -0.986949
H 0.792061 0.012045 -1.217477
H -0.384476 0.591855 2.258223
H -0.104395 1.336720 0.692997
H 1.249695 1.108594 1.804924
H 2.355240 -1.130143 2.063178
H 0.851969 -1.705410 2.773029
H 1.601028 -2.595319 1.437584
H -0.718653 -1.434524 -2.060694
H -1.966362 -0.207708 -2.368296
H 2.077380 2.034487 -0.538435
H 3.751294 -1.923024 -0.153710
H -2.738807 -2.501580 -3.089913
H -3.773202 -1.916369 -1.784563
H -2.534112 -3.125200 -1.446138
H 4.345561 3.010092 -0.312419
H 6.015250 -0.939741 0.069830
H 6.319896 1.527893 -0.006467
H -4.476661 2.977367 0.082920
H -4.474702 1.691806 1.322795
H -6.509886 1.884942 -1.028010
H -6.499124 0.620690 0.208622
H -6.850295 2.292549 0.657018


%chk=000185221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185221

0 1
S -3.806666 1.099514 -1.211826
O -2.853057 0.511623 1.313998
N -1.734651 -0.569422 -0.437870
C 0.530866 -0.653991 0.834557
C -0.858988 -1.303545 0.515184
C 1.376985 -0.550878 -0.487012
C 0.338848 0.743789 1.472976
C 1.221187 -1.599167 1.853360
C 2.799853 -0.032058 -0.331058
C -1.727734 -0.987137 -1.864656
C -2.698372 0.272296 0.085463
C 3.083579 1.358234 -0.394095
C 3.885790 -0.926374 -0.135866
C -2.694407 -2.155536 -2.155788
C 4.403943 1.840921 -0.252072
C 5.208630 -0.450225 0.005762
C 5.473214 0.937848 -0.049453
C -4.920676 2.047215 -0.005548
C -6.121879 1.215140 0.460886
H -0.696476 -2.318465 0.100028
H -1.415158 -1.406189 1.464737
H 1.409061 -1.560318 -0.946890
H 0.826129 0.113025 -1.181309
H -0.321717 0.682059 2.354971
H -0.128174 1.448926 0.761493
H 1.310818 1.164088 1.786043
H 2.218160 -1.215316 2.129539
H 0.620066 -1.679646 2.778424
H 1.351902 -2.619127 1.441015
H -0.695404 -1.277889 -2.120799
H -1.978572 -0.115908 -2.496228
H 2.262089 2.065603 -0.561081
H 3.692142 -2.005858 -0.102024
H -2.626246 -2.450594 -3.219020
H -3.736014 -1.859453 -1.944699
H -2.448360 -3.039310 -1.539261
H 4.598907 2.918132 -0.305974
H 6.031092 -1.159768 0.152453
H 6.498514 1.309810 0.056264
H -5.218908 2.952801 -0.560002
H -4.273274 2.324059 0.842524
H -6.742654 0.883678 -0.389909
H -5.779331 0.325401 1.015754
H -6.757958 1.817016 1.138712


