%chk=000281419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281419

0 1
S -5.813850 -1.960868 1.352260
O 2.628164 -2.062174 -1.089317
O 3.410003 2.240359 1.074832
O -6.096938 -2.586267 0.076778
O -5.729253 -2.742234 2.569335
O 0.251343 2.694081 -1.765514
N 2.679462 0.347115 -0.028210
N 0.074113 1.180887 0.537911
N -1.054221 1.565909 0.887701
N -7.084535 -0.831338 1.609629
C 1.113182 2.234143 0.438053
C 3.898588 -0.406097 -0.020154
C -4.403816 -0.976586 1.207491
C 2.516718 1.595948 0.549351
C -2.132254 0.608007 0.976354
C 3.872414 -1.712657 -0.602088
C 1.017264 3.021258 -0.898108
C -4.025530 -0.481186 -0.045520
C -3.638349 -0.687035 2.342622
C -2.885826 0.313256 -0.173001
C -2.495657 0.106895 2.238238
C 5.102322 0.065474 0.508825
C 5.016070 -2.504783 -0.647319
C 6.252733 -0.735609 0.461761
C 6.211591 -2.004539 -0.109065
C 1.931600 4.196224 -0.971840
C 2.474759 -3.380302 -1.669077
H 1.043277 2.988024 1.278719
H 1.860451 -0.143877 -0.423726
H -4.615576 -0.727281 -0.936990
H -3.926766 -1.094476 3.319763
H -2.582511 0.701614 -1.146852
H -1.896568 0.334647 3.119062
H 5.150465 1.062204 0.965034
H 4.997974 -3.496301 -1.089346
H 7.182473 -0.351960 0.879452
H 7.109480 -2.620681 -0.142003
H 1.451916 5.098957 -0.561600
H 2.874983 4.059120 -0.412788
H 2.197867 4.431383 -2.015021
H -7.542298 -0.820195 2.518266
H -7.787180 -0.722913 0.881671
H 2.683119 -4.150732 -0.920993
H 3.111400 -3.481315 -2.552829
H 1.411798 -3.376802 -1.946545


%chk=000281419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281419

0 1
S -5.372971 -2.291002 1.368898
O 2.001695 -1.920619 -0.701186
O 3.742194 2.492724 0.733812
O -4.923221 -3.604303 0.516712
O -5.913273 -2.349571 2.903559
O 0.302064 3.226298 -1.566124
N 2.657703 0.517440 0.031334
N 0.252870 1.425363 0.538356
N -0.754901 1.680069 1.310463
N -6.674872 -1.449585 0.381062
C 1.289172 2.475286 0.569579
C 3.738770 -0.371864 -0.185538
C -3.939108 -1.066405 1.317318
C 2.700383 1.822819 0.459726
C -1.809510 0.697369 1.258110
C 3.387667 -1.698689 -0.588110
C 1.095548 3.475976 -0.631037
C -3.011713 -1.185623 0.266059
C -3.853728 -0.109184 2.340031
C -1.928946 -0.288135 0.238950
C -2.770153 0.792611 2.296004
C 5.103242 -0.031710 -0.031820
C 4.385434 -2.661986 -0.834586
C 6.101003 -1.002255 -0.279502
C 5.747649 -2.308363 -0.678909
C 1.919241 4.742846 -0.528656
C 1.552992 -3.260326 -1.087515
H 1.259696 3.072302 1.502916
H 1.709692 0.134285 -0.119408
H -3.134488 -1.966770 -0.490836
H -4.594600 -0.085471 3.144776
H -1.180509 -0.321836 -0.558228
H -2.646768 1.570266 3.055736
H 5.361810 0.982156 0.279801
H 4.118222 -3.676802 -1.143246
H 7.154689 -0.730878 -0.158723
H 6.523405 -3.057134 -0.870746
H 1.464121 5.410888 0.228948
H 2.943769 4.515440 -0.183647
H 1.932311 5.263122 -1.498802
H -7.486485 -1.273138 0.996052
H -6.897810 -2.045011 -0.433672
H 1.886984 -4.018075 -0.353596
H 1.920748 -3.526578 -2.096715
H 0.454384 -3.208649 -1.092397


