%chk=000267633.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267633

0 1
S 6.340282 -0.738248 0.039559
O -1.748841 -0.388403 0.231682
O -0.205706 0.875460 1.397300
O 6.769957 -0.332320 1.368025
O 6.802363 -2.006181 -0.506897
N 0.397207 -0.793128 -0.151163
C -4.080937 -0.722851 0.336506
C -2.962270 0.249189 0.817623
C -4.171270 -0.760332 -1.201967
C -3.870154 -2.145551 0.890755
C -5.279087 -1.711382 -1.672067
C -4.979689 -3.095661 0.421480
C -5.081041 -3.124889 -1.109204
C -3.133453 1.637388 0.219944
C -2.809993 0.290430 2.331148
C -4.053329 2.525973 0.797790
C -2.414179 2.035338 -0.915185
C -0.489270 0.012966 0.601122
C -4.238743 3.799365 0.253209
C -2.598472 3.311220 -1.455602
C -3.509992 4.196139 -0.872555
C 1.814948 -0.748809 -0.065517
C 2.539633 -1.632917 -0.898436
C 2.489892 0.129164 0.803963
C 4.607995 -0.732609 -0.007224
C 3.930971 -1.618374 -0.852235
C 3.881925 0.119883 0.831734
C 6.772794 0.546827 -1.099615
C 8.286600 0.661641 -1.175454
H -5.044423 -0.319810 0.738482
H -3.195005 -1.076597 -1.618444
H -4.361933 0.254980 -1.599466
H -3.840776 -2.129732 1.995787
H -2.882036 -2.523033 0.560586
H -6.267198 -1.319785 -1.362344
H -5.297686 -1.744247 -2.777607
H -4.785495 -4.114437 0.806390
H -5.949787 -2.785303 0.855022
H -4.164162 -3.573637 -1.536917
H -5.916857 -3.777964 -1.421339
H -2.101260 1.079400 2.640561
H -2.412257 -0.653245 2.725939
H -3.760682 0.485387 2.838027
H -4.625868 2.231217 1.675774
H -1.709154 1.347387 -1.381656
H -4.951181 4.484958 0.709447
H -2.028879 3.615041 -2.332471
H -3.651821 5.190303 -1.292354
H -0.024099 -1.485135 -0.781760
H 2.026863 -2.325676 -1.560514
H 1.928877 0.805322 1.459115
H 4.499600 -2.317353 -1.479267
H 4.408985 0.783188 1.528707
H 6.338065 1.520885 -0.800613
H 6.360596 0.352785 -2.109220
H 8.752076 -0.274039 -1.521847
H 8.728528 0.908196 -0.197553
H 8.591530 1.451016 -1.874382


%chk=000267633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267633

0 1
S 6.548392 -0.585630 0.074487
O -1.739712 -0.521694 0.292593
O -0.240343 0.932679 1.418690
O 7.015719 0.096226 1.490511
O 7.073216 -2.067990 -0.395145
N 0.463918 -0.834968 0.007615
C -4.150372 -0.768769 0.277767
C -2.992661 0.141794 0.830838
C -4.192621 -0.839847 -1.272314
C -4.137321 -2.202486 0.874091
C -5.393285 -1.677745 -1.773134
C -5.334124 -3.044089 0.366672
C -5.379985 -3.103241 -1.176873
C -3.107034 1.568489 0.262378
C -2.944465 0.128444 2.376814
C -3.968969 2.504515 0.888486
C -2.424582 1.963659 -0.915089
C -0.478234 -0.034135 0.658726
C -4.137824 3.802425 0.357486
C -2.584740 3.262592 -1.443506
C -3.443727 4.189630 -0.810872
C 1.873433 -0.727557 0.054867
C 2.624178 -1.673800 -0.700365
C 2.545242 0.264825 0.823891
C 4.662281 -0.620537 0.041629
C 4.030249 -1.626827 -0.708321
C 3.954028 0.310593 0.818431
C 7.062487 0.659306 -1.337440
C 8.585189 0.738032 -1.366542
H -5.084018 -0.266908 0.616112
H -3.249713 -1.297017 -1.633524
H -4.245728 0.176948 -1.701361
H -4.167116 -2.166478 1.978718
H -3.188013 -2.698870 0.590133
H -6.338631 -1.171545 -1.485708
H -5.380318 -1.721937 -2.879496
H -5.276827 -4.065060 0.791630
H -6.279057 -2.595723 0.739208
H -4.487333 -3.647635 -1.549397
H -6.268054 -3.672291 -1.513773
H -2.293119 0.929179 2.755743
H -2.556800 -0.838021 2.739081
H -3.960056 0.256965 2.791661
H -4.507630 2.229498 1.801926
H -1.762530 1.252905 -1.420411
H -4.805769 4.511192 0.859860
H -2.039501 3.549732 -2.349681
H -3.568423 5.198281 -1.220066
H 0.065106 -1.584840 -0.561602
H 2.105327 -2.451152 -1.274301
H 1.963044 0.974408 1.414276
H 4.627180 -2.366058 -1.252762
H 4.493738 1.039866 1.432121
H 6.565458 1.600355 -1.052064
H 6.612573 0.226439 -2.245229
H 9.028103 -0.249063 -1.583892
H 8.980359 1.099366 -0.401557
H 8.902116 1.442973 -2.157214


