%chk=000220852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220852

0 1
S -3.330356 -2.241517 1.296129
S -0.398448 -2.906274 0.841309
O 0.862420 -0.563511 1.708661
O -7.444284 1.769060 -1.418524
O -7.939318 0.415831 0.194853
N -1.853431 -1.069779 -0.528028
N -7.159363 0.902288 -0.608520
C 4.696208 1.017742 0.778158
C 5.136716 0.893770 -0.565838
C 2.722740 -0.318908 0.256529
C 3.468479 0.401125 1.167427
C 4.335604 0.156985 -1.495790
C 3.163349 -0.432792 -1.096712
C 1.452623 -0.946736 0.725557
C -4.098665 -1.036942 0.297458
C -3.148537 -0.503244 -0.626343
C 5.490549 1.759913 1.710152
C 0.939321 -2.126240 -0.073539
C 6.367257 1.511768 -0.956283
C -1.793926 -1.974858 0.418506
C -5.412464 -0.593912 0.321983
C -3.528790 0.497157 -1.538746
C -5.769211 0.401951 -0.598622
C 6.665822 2.342665 1.308595
C 7.109168 2.216056 -0.041460
C -4.842250 0.945338 -1.518238
H 3.120284 0.508740 2.200173
H 4.675584 0.077974 -2.528126
H 2.553854 -0.980820 -1.814459
H 5.141279 1.851561 2.738641
H 1.729321 -2.887145 -0.243429
H 0.605529 -1.796366 -1.084791
H 6.698844 1.412063 -1.988905
H -6.153138 -0.993266 1.024374
H -2.796008 0.903297 -2.237887
H 7.277535 2.909881 2.009191
H 8.047277 2.690583 -0.329442
H -5.179172 1.725259 -2.212613


%chk=000220852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220852

0 1
S -3.452619 -2.644490 1.006050
S -0.479114 -3.505913 0.586847
O 0.927588 -1.143829 1.841971
O -6.856183 2.460468 -1.133487
O -7.684581 0.775899 0.164189
N -1.668350 -1.222879 -0.446110
N -6.724801 1.350401 -0.484701
C 4.343713 1.109390 0.678537
C 4.984989 0.814467 -0.589132
C 2.688174 -0.674278 0.256208
C 3.201914 0.349329 1.070905
C 4.444973 -0.232996 -1.407816
C 3.327982 -0.959832 -1.001780
C 1.485782 -1.424378 0.747452
C -3.977230 -1.106725 0.198132
C -2.875230 -0.511277 -0.509632
C 4.875669 2.157655 1.503290
C 0.957759 -2.552721 -0.159491
C 6.132246 1.577563 -0.981729
C -1.781534 -2.320245 0.274178
C -5.247298 -0.517412 0.220801
C -3.067553 0.708077 -1.204685
C -5.396413 0.697774 -0.486294
C 5.994498 2.884872 1.094058
C 6.627169 2.591896 -0.157661
C -4.332418 1.315607 -1.193541
H 2.701133 0.554497 2.024258
H 4.926849 -0.454809 -2.367200
H 2.938864 -1.748549 -1.653678
H 4.388008 2.377960 2.459949
H 1.733575 -3.312828 -0.355766
H 0.608443 -2.133378 -1.118785
H 6.617565 1.355242 -1.939310
H -6.104732 -0.942384 0.747673
H -2.224655 1.156337 -1.737117
H 6.395361 3.683510 1.727078
H 7.504700 3.170622 -0.465979
H -4.521843 2.256052 -1.716282


