%chk=000194517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194517

0 1
S 1.141259 -0.069411 -1.587856
S -0.886954 -0.167625 -1.724892
O 2.152323 -1.811276 0.684396
O -2.016982 1.582613 0.537629
O 3.064226 -2.057764 -1.363371
O -3.212725 2.465073 -1.156323
N 2.833202 2.560020 0.753599
N -2.823472 -2.431413 0.806821
N 0.731236 2.159216 0.014537
N -0.674994 -2.200272 0.132827
N 5.549800 -1.260902 0.172186
N -5.553696 1.181725 0.033453
C 4.149459 0.685524 -0.392483
C -4.007355 -0.638697 -0.576902
C 2.908599 1.430087 -0.079670
C -2.810179 -1.394104 -0.143049
C 4.199097 -0.677161 0.337166
C -4.177219 0.671179 0.228591
C 1.590681 1.209991 -0.515992
C -1.466617 -1.276372 -0.535095
C 1.492905 2.975932 0.787518
C -1.505493 -2.895062 0.950868
C 3.951741 3.194767 1.456137
C -4.000616 -2.942048 1.514838
C 3.098403 -1.580188 -0.252276
C -3.109872 1.674570 -0.245550
H 5.061587 1.264391 -0.127471
H 4.224368 0.528931 -1.495846
H -3.942617 -0.414722 -1.667445
H -4.934681 -1.246695 -0.472682
H 4.000465 -0.529245 1.434042
H -4.019007 0.466744 1.322463
H 1.134071 3.824120 1.348971
H -1.211968 -3.689359 1.618753
H 3.589203 3.927296 2.198724
H 4.613777 3.726652 0.746436
H 4.558183 2.441341 1.995130
H -3.705996 -3.518674 2.409245
H -4.652442 -2.111861 1.849724
H -4.598690 -3.604219 0.860110
H 5.644221 -2.118257 0.711070
H 5.734820 -1.492130 -0.803382
H -5.718891 2.005651 0.607529
H -5.705103 1.461327 -0.936302
H 1.291150 -2.238036 0.309197
H -1.188509 2.080543 0.170126


%chk=000194517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194517

0 1
S 0.269714 1.181235 -2.052280
S -0.213517 -1.198215 -2.012730
O 2.258712 -1.355842 0.837230
O -2.227017 1.424435 0.772812
O 3.028123 -2.544330 -1.020079
O -2.985329 2.554248 -1.125195
N 2.383622 1.795641 1.264508
N -2.357652 -1.712670 1.301444
N 0.233731 1.937544 0.635585
N -0.201648 -1.868852 0.697753
N 5.289504 -0.837617 -1.227397
N -5.243868 0.838834 -1.295228
C 3.534422 0.855424 -0.828795
C -3.489526 -0.838863 -0.830544
C 2.347650 1.356139 -0.065325
C -2.309583 -1.313491 -0.040629
C 4.189937 -0.486539 -0.318496
C -4.150393 0.517799 -0.368226
C 0.995625 1.471119 -0.458263
C -0.953659 -1.438189 -0.417080
C 1.091646 2.122369 1.649181
C -1.068892 -2.024786 1.708305
C 3.550830 1.794795 2.155373
C -3.533824 -1.690625 2.180238
C 3.103532 -1.588450 -0.203579
C -3.065337 1.623888 -0.280411
H 4.349825 1.603327 -0.849001
H 3.214885 0.702852 -1.875596
H -3.159876 -0.718319 -1.878428
H -4.303939 -1.588030 -0.834931
H 4.602910 -0.317585 0.691979
H -4.570349 0.380545 0.644205
H 0.835219 2.482431 2.641878
H -0.821354 -2.354206 2.713806
H 3.380971 2.502833 2.982493
H 4.449481 2.111781 1.602423
H 3.711705 0.783712 2.566995
H -3.367355 -2.370050 3.031655
H -3.705822 -0.667925 2.557301
H -4.424814 -2.031727 1.629166
H 6.020447 -1.394889 -0.771043
H 4.931165 -1.342593 -2.050429
H -5.978393 1.409399 -0.861722
H -4.881053 1.317177 -2.132025
H 1.217362 -1.748361 0.759172
H -1.187118 1.816830 0.689426


