%chk=000219915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219915

0 1
S 7.892954 0.360190 0.001762
O 4.055192 -0.059747 0.009159
O 5.498682 1.692259 -0.028052
N 9.805762 -1.749927 0.048100
C -3.350673 -0.343755 0.005928
C -4.664228 0.449675 -0.011325
C -2.132365 0.589335 -0.011353
C -5.882741 -0.483169 0.006005
C -0.819377 -0.204905 0.005978
C -7.196531 0.309915 -0.011179
C 0.398246 0.728968 -0.011432
C -8.414805 -0.622883 0.006047
C 1.707081 -0.068968 0.006047
C -9.729888 0.169119 -0.010995
C 2.908436 0.867033 -0.011471
C -10.945923 -0.754473 0.006012
C 5.300919 0.500647 -0.002318
C 6.337595 -0.577953 0.021614
C 9.003325 -0.919905 0.029857
H -3.313841 -1.028268 -0.863525
H -3.315763 -0.993063 0.902056
H -4.702566 1.134123 0.858048
H -4.700678 1.098856 -0.907418
H -2.169406 1.238505 -0.907591
H -2.171372 1.273778 0.858159
H -5.847486 -1.132456 0.902036
H -5.845642 -1.167653 -0.863363
H -0.782903 -0.889775 -0.863557
H -0.784805 -0.854380 0.902334
H -7.234483 0.994230 0.858253
H -7.232580 0.959132 -0.907204
H 0.358276 1.412934 0.859282
H 0.360237 1.377410 -0.908999
H -8.378877 -1.307748 -0.862831
H -8.380691 -1.272801 0.901438
H 1.753660 -0.723368 0.900528
H 1.755567 -0.758826 -0.861269
H -9.766593 0.818331 -0.907641
H -9.768435 0.853299 0.859182
H 2.985959 1.476531 -0.927399
H 2.983539 1.513439 0.878995
H -10.960782 -1.386008 0.901543
H -11.879245 -0.180579 -0.005982
H -10.959280 -1.420487 -0.864205
H 6.239209 -1.261519 -0.848870
H 6.238521 -1.222893 0.921015


%chk=000219915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219915

0 1
S 8.198327 0.483557 0.000377
O 4.201378 -0.088983 0.009560
O 5.574290 1.801932 -0.049441
N 10.004799 -1.842102 0.098115
C -3.384880 -0.357644 -0.004411
C -4.713567 0.431476 -0.010319
C -2.134547 0.550317 -0.016404
C -5.964104 -0.476255 0.000830
C -0.807305 -0.240798 -0.006545
C -7.293417 0.312119 -0.003736
C 0.441838 0.668997 -0.020257
C -8.544064 -0.595575 0.006865
C 1.763642 -0.136055 -0.002523
C -9.873699 0.193183 0.001946
C 2.979265 0.787347 -0.020187
C -11.117338 -0.721968 0.012443
C 5.422905 0.561187 -0.008558
C 6.542935 -0.467505 0.029755
C 9.241774 -0.917802 0.059223
H -3.356442 -1.032846 -0.885214
H -3.353198 -1.013782 0.890604
H -4.742992 1.106152 0.870924
H -4.745807 1.088309 -0.904854
H -2.165667 1.204494 -0.912788
H -2.165120 1.226943 0.863173
H -5.931859 -1.133828 0.894856
H -5.935585 -1.150463 -0.880822
H -0.777559 -0.918153 -0.885187
H -0.776193 -0.893128 0.890822
H -7.322618 0.986053 0.878181
H -7.326016 0.969979 -0.897604
H 0.407677 1.348797 0.856239
H 0.411385 1.317195 -0.920514
H -8.516626 -1.269759 -0.874919
H -8.513492 -1.253465 0.900791
H 1.802062 -0.774408 0.900798
H 1.803996 -0.811625 -0.878255
H -9.903333 0.850231 -0.891358
H -9.900326 0.866546 0.883101
H 3.027173 1.408844 -0.933001
H 3.017426 1.454860 0.860054
H -11.126458 -1.367027 0.911428
H -12.054251 -0.134991 0.008121
H -11.128865 -1.384080 -0.874011
H 6.494883 -1.133720 -0.845412
H 6.490772 -1.070357 0.949512


