%chk=000241361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241361

0 1
S 3.624710 -1.675498 -0.270213
O -1.980375 -0.277814 0.641716
O 3.755750 -2.694377 -1.296256
O 4.266698 -1.861315 1.014969
N 4.274965 -0.269075 -1.026590
N 3.795950 2.218855 -2.321070
C -6.814149 0.168469 0.360877
C -5.580906 -0.437472 -0.322889
C -8.099465 -0.165154 -0.407796
C -4.300841 -0.101051 0.449347
C -9.334161 0.440267 0.274998
C -3.078157 -0.705903 -0.234412
C -10.616886 0.111650 -0.485188
C -0.709407 -0.658603 0.336188
C 1.973616 -1.279807 -0.038096
C -0.335293 -1.424808 -0.781305
C 0.245299 -0.198614 1.274637
C 1.014887 -1.728753 -0.952733
C 1.579114 -0.519018 1.077558
C 4.470193 0.954999 -0.298667
C 4.159552 2.187574 -0.948781
C 4.938229 0.969397 1.021151
C 4.314376 3.394857 -0.240599
C 5.079198 2.177095 1.709547
C 4.771271 3.384001 1.077700
H -6.699203 1.266907 0.442942
H -6.890527 -0.204298 1.401033
H -5.699994 -1.536059 -0.402257
H -5.508244 -0.062604 -1.362720
H -8.218555 -1.262776 -0.489632
H -8.027380 0.207356 -1.447769
H -4.364489 -0.470019 1.494005
H -4.173513 0.997463 0.538922
H -9.410707 0.066944 1.315165
H -9.219385 1.539041 0.356176
H -3.096889 -1.808207 -0.255952
H -2.899245 -0.295626 -1.241805
H -10.591838 0.501466 -1.509157
H -11.492528 0.547494 0.009307
H -10.782928 -0.969730 -0.550434
H -1.066345 -1.783568 -1.497093
H -0.085367 0.388605 2.129078
H 1.325074 -2.334560 -1.814806
H 2.331309 -0.179949 1.800847
H 4.935157 -0.385451 -1.808724
H 5.200192 0.027832 1.523152
H 4.087908 4.341204 -0.725925
H 5.439535 2.171937 2.735990
H 4.888858 4.324847 1.613882
H 3.339661 1.380254 -2.662884
H 3.294871 3.048298 -2.610533


%chk=000241361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241361

0 1
S 3.424779 -1.195915 0.055656
O -2.456124 0.026303 0.866185
O 3.514584 -2.620048 -0.765770
O 4.119599 -1.004478 1.531592
N 4.202788 0.388344 -1.333020
N 3.368762 2.582047 0.030523
C -7.395889 -0.021985 0.153402
C -6.029242 -0.527949 -0.361554
C -8.587827 -0.507544 -0.701446
C -4.846906 -0.021484 0.496613
C -9.954031 -0.001733 -0.183988
C -3.501480 -0.534679 -0.018283
C -11.140856 -0.485073 -1.045071
C -1.124508 -0.303072 0.608855
C 1.592295 -0.826710 0.274160
C -0.696414 -1.139622 -0.456227
C -0.179098 0.259024 1.509586
C 0.681030 -1.403732 -0.622899
C 1.192310 -0.000165 1.342892
C 5.185394 1.152645 -0.712088
C 4.721488 2.332609 -0.000899
C 6.589334 0.869808 -0.738206
C 5.673907 3.189018 0.624221
C 7.512488 1.731707 -0.133976
C 7.043782 2.890607 0.553279
H -7.389651 1.087688 0.176888
H -7.537443 -0.354609 1.202707
H -6.033759 -1.637913 -0.375503
H -5.893275 -0.201893 -1.413999
H -8.595731 -1.617430 -0.727240
H -8.448985 -0.173237 -1.751023
H -4.975508 -0.345213 1.547068
H -4.830157 1.085270 0.500312
H -10.094197 -0.338830 0.863421
H -9.943950 1.107054 -0.154595
H -3.456287 -1.642933 0.016436
H -3.318437 -0.201012 -1.060979
H -11.040312 -0.136850 -2.090454
H -12.104311 -0.108583 -0.655053
H -11.192953 -1.590111 -1.064019
H -1.414224 -1.588357 -1.147695
H -0.544933 0.880448 2.332118
H 1.039870 -2.066031 -1.417451
H 1.939629 0.400192 2.036096
H 4.605397 -0.332924 -1.967282
H 6.928370 -0.040306 -1.248678
H 5.329169 4.082249 1.158196
H 8.584011 1.513379 -0.172769
H 7.764000 3.558860 1.038739
H 2.756911 1.960643 -0.501840
H 2.986190 3.399229 0.497968


