%chk=000281017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281017

0 1
S -2.748282 1.244746 2.262319
O -3.359818 0.329264 -0.523191
O -2.466259 0.943817 3.647596
O -3.610283 2.332426 1.901892
O 4.824867 2.160531 -2.116669
N 2.338955 1.559178 -0.797499
N -3.500422 -0.250940 1.750900
N 5.526195 -0.061757 -1.587936
N -3.828666 -0.106223 -1.767174
C -1.282305 1.314199 1.365370
C 3.302752 0.638388 -0.902595
C 1.107088 1.437903 -0.057563
C 3.487500 -0.684666 -0.523532
C -1.264490 1.865222 0.077778
C -0.098591 0.837760 1.943781
C -3.909442 -0.523867 0.459640
C -0.069933 1.934286 -0.642037
C 1.103309 0.896623 1.239623
C 4.850199 -1.059298 -0.955244
C -4.707611 -1.476544 -0.148065
C 4.712330 1.060252 -1.662910
C -4.621543 -1.170395 -1.569641
C 2.667706 -1.675721 0.089586
C 5.332611 -2.381325 -0.696148
C -5.479426 -2.562035 0.482093
C 3.162208 -2.931568 0.307527
C 4.504250 -3.276805 -0.080526
C -5.297400 -1.895540 -2.665605
H 2.483620 2.454348 -1.297165
H -3.827094 -0.922436 2.464208
H -2.193536 2.240272 -0.381536
H -0.109710 0.425907 2.962605
H -0.069048 2.350567 -1.650887
H 2.030275 0.542444 1.696893
H 1.644266 -1.417547 0.362369
H 6.348153 -2.629990 -1.005932
H -5.940146 -2.243394 1.428365
H -6.298140 -2.905683 -0.168175
H -4.845034 -3.436455 0.693817
H 2.552214 -3.702341 0.772369
H 4.846652 -4.293501 0.128779
H -6.392647 -1.813268 -2.576334
H -5.021410 -1.502863 -3.658495
H -5.041413 -2.966372 -2.651352


%chk=000281017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281017

0 1
S -2.813920 0.427591 1.825760
O -3.662734 -0.920820 -1.258908
O -2.563824 0.138009 3.411422
O -3.803972 1.608581 1.290632
O 4.612019 2.357628 -2.240955
N 2.561101 1.168812 -0.885455
N -3.450686 -1.394369 1.041421
N 6.087464 0.603890 -1.475025
N -4.696593 -0.820438 -2.284103
C -1.150392 0.641855 0.991600
C 3.753192 0.548406 -0.801080
C 1.319336 0.955953 -0.233998
C 4.356872 -0.591388 -0.238475
C -1.109446 1.282649 -0.258502
C -0.010034 0.168295 1.661337
C -4.295087 -1.236829 -0.031577
C 0.146482 1.444260 -0.871359
C 1.242349 0.334705 1.040771
C 5.771932 -0.493184 -0.691096
C -5.679917 -1.337793 -0.237171
C 4.904104 1.293853 -1.612303
C -5.865780 -1.097963 -1.644855
C 3.916231 -1.728225 0.518307
C 6.683304 -1.524925 -0.318063
C -6.740326 -1.620274 0.786121
C 4.837081 -2.722486 0.846314
C 6.214629 -2.606382 0.436491
C -7.152235 -1.086473 -2.419638
H 2.627850 1.980790 -1.537857
H -3.917570 -1.794497 1.878210
H -2.026137 1.642334 -0.734471
H -0.099921 -0.285456 2.653186
H 0.216845 1.929184 -1.850942
H 2.153170 0.035208 1.564057
H 2.869020 -1.839614 0.815551
H 7.726084 -1.454165 -0.639327
H -6.344216 -1.550199 1.814917
H -7.570689 -0.895855 0.702818
H -7.173514 -2.630847 0.659565
H 4.519619 -3.601182 1.416096
H 6.913930 -3.401207 0.722186
H -7.855562 -0.340345 -2.006861
H -6.958882 -0.836525 -3.475123
H -7.648676 -2.072964 -2.378315


