%chk=000270120.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270120

0 1
S -3.313224 0.976911 -0.787630
O -3.487792 1.713601 0.452472
O -3.676556 1.581951 -2.056906
O 4.345394 -1.657903 -0.566944
O 3.044671 -0.822085 1.130110
N -4.246756 -0.463478 -0.716172
N 2.275596 -1.003111 -1.096216
C -4.720317 -0.963832 0.605672
C -5.832126 -0.088317 1.224942
C -5.195536 -2.426214 0.446664
C -7.162741 -0.206128 0.476397
C -6.539671 -2.541479 -0.283231
C -7.617159 -1.668371 0.373372
C -1.688209 0.407200 -0.860483
C -0.900897 0.382006 0.297027
C -1.150267 -0.020344 -2.079912
C 0.412108 -0.079646 0.252419
C 0.160536 -0.484924 -2.151751
C 0.943521 -0.516418 -0.975364
C 3.192848 -1.111026 -0.035624
C 5.498180 -1.757939 0.337791
C 6.237769 -0.452591 0.355137
C 7.348178 -0.258884 -0.478589
C 5.816376 0.577000 1.210220
C 8.039463 0.955810 -0.447513
C 6.509055 1.789573 1.235658
C 7.621983 1.979320 0.409254
H -3.836011 -0.952554 1.299081
H -5.502544 0.973221 1.262412
H -5.970866 -0.385626 2.282021
H -5.278944 -2.878774 1.453451
H -4.424747 -3.010692 -0.092185
H -7.935425 0.393729 0.994296
H -7.070790 0.234877 -0.534563
H -6.418538 -2.253457 -1.345193
H -6.866722 -3.598529 -0.293968
H -7.850779 -2.058309 1.382697
H -8.558017 -1.731879 -0.204144
H -4.968272 -0.572650 -1.443871
H -1.315567 0.738009 1.249378
H -1.758986 0.017279 -2.991388
H 1.022094 -0.096112 1.162571
H 0.567081 -0.812433 -3.105419
H 2.599938 -1.290688 -2.027407
H 5.143470 -2.066393 1.340066
H 6.057608 -2.583718 -0.142346
H 7.672614 -1.049511 -1.153233
H 4.938777 0.429921 1.846783
H 8.903056 1.105145 -1.093620
H 6.180083 2.588250 1.899348
H 8.161761 2.924910 0.431732


%chk=000270120-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270120

0 1
S -3.476880 1.238704 -0.746146
O -3.650189 2.024902 0.678578
O -3.792325 1.974990 -2.165352
O 4.288813 -1.624851 -0.378245
O 3.032576 -0.600297 1.337104
N -4.484603 -0.332013 -0.843721
N 2.192590 -0.947830 -0.854353
C -4.810145 -0.970132 0.473825
C -5.960948 -0.276075 1.254777
C -5.152734 -2.458372 0.185843
C -7.326612 -0.437424 0.543765
C -6.519012 -2.615707 -0.524572
C -7.653394 -1.926235 0.272729
C -1.733853 0.545584 -0.755905
C -0.971536 0.637689 0.418585
C -1.237092 -0.003895 -1.950392
C 0.348612 0.142885 0.415031
C 0.080013 -0.495177 -1.952727
C 0.877499 -0.430975 -0.773701
C 3.147403 -1.006734 0.154195
C 5.481424 -1.689904 0.542591
C 6.359107 -0.467049 0.397635
C 7.430213 -0.458240 -0.531835
C 6.118739 0.686606 1.188980
C 8.246278 0.685795 -0.675260
C 6.933197 1.831249 1.045109
C 7.998081 1.833618 0.113424
H -3.880981 -0.929816 1.074995
H -5.709366 0.788722 1.409349
H -6.020186 -0.745744 2.257749
H -5.183248 -2.989934 1.158798
H -4.342383 -2.905960 -0.417193
H -8.120027 0.026182 1.159963
H -7.327016 0.121070 -0.417142
H -6.461333 -2.179985 -1.543276
H -6.744614 -3.690679 -0.659212
H -7.784028 -2.449277 1.242873
H -8.612995 -2.016007 -0.271888
H -5.327211 -0.040166 -1.377481
H -1.399326 1.105233 1.311550
H -1.856957 -0.036922 -2.851089
H 0.969663 0.198315 1.310721
H 0.493818 -0.928822 -2.870961
H 2.499524 -1.325615 -1.753702
H 5.100361 -1.804589 1.571675
H 5.990681 -2.608657 0.213128
H 7.622960 -1.348192 -1.143854
H 5.287552 0.682379 1.903209
H 9.072824 0.682532 -1.394448
H 6.740690 2.718042 1.658948
H 8.631079 2.721475 0.004624


