%chk=000228024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228024

0 1
S 0.656602 0.546829 -0.782977
S -0.657707 0.542888 0.785184
O 3.345559 -2.581785 0.776856
O -3.344698 -2.580387 -0.788685
O 4.737060 -1.206405 1.853715
O -4.737019 -1.201069 -1.859437
N 3.822470 0.613403 -0.413207
N -3.823600 0.609183 0.415549
N 5.193077 1.628269 1.369549
N 5.583215 2.054691 -0.965263
N -5.194669 1.631172 -1.362782
N -5.585148 2.047089 0.973864
C 2.971065 -0.207384 0.449542
C -2.971651 -0.207242 -0.450798
C 1.849236 -0.762748 -0.431553
C -1.849524 -0.765833 0.427870
C 3.794930 -1.333217 1.099480
C -3.794827 -1.330668 -1.105758
C 4.803143 1.371770 0.024209
C -4.804651 1.368958 -0.018564
H 2.534733 0.383976 1.310674
H -2.535637 0.388183 -1.309284
H 2.253134 -1.100177 -1.415067
H 1.374011 -1.651979 0.026107
H -2.253261 -1.107884 1.409854
H -1.373741 -1.652732 -0.033718
H 3.886202 -3.306638 1.200420
H -3.884900 -3.303677 -1.215469
H 5.042336 0.852104 2.021907
H 6.119970 2.020605 1.502558
H 5.760957 3.033749 -0.762732
H 5.217715 1.949136 -1.913212
H -5.043454 0.857988 -2.018541
H -6.121790 2.023549 -1.494092
H -5.763390 3.026936 0.775641
H -5.219646 1.937544 1.921360


%chk=000228024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228024

0 1
S 0.538729 0.496613 -1.001947
S -0.539214 0.492915 1.001843
O 3.855740 -2.637472 -0.136501
O -3.856791 -2.638340 0.127129
O 4.620288 -1.456793 1.699837
O -4.621166 -1.451783 -1.705470
N 3.758219 0.619042 -0.512416
N -3.758524 0.616223 0.514285
N 4.756922 1.434462 1.549882
N 4.949662 2.627915 -0.469257
N -4.758806 1.439398 -1.544213
N -4.949947 2.625236 0.479533
C 2.949437 -0.382442 0.224601
C -2.950015 -0.382407 -0.226968
C 1.812090 -0.866461 -0.685793
C -1.812087 -0.869514 0.681032
C 3.867754 -1.518427 0.689675
C -3.868339 -1.516858 -0.695736
C 4.462311 1.498248 0.190201
C -4.463154 1.498038 -0.184534
H 2.512942 0.036904 1.161367
H -2.514146 0.040510 -1.162419
H 2.207026 -1.119526 -1.683568
H 1.282873 -1.736038 -0.265019
H -2.206466 -1.126666 1.677979
H -1.282617 -1.737177 0.256644
H 4.527428 -3.297526 0.189539
H -4.528735 -3.297156 -0.200883
H 4.732138 0.525634 2.023141
H 5.026333 2.270514 2.063076
H 5.831987 3.050364 -0.188256
H 4.634247 2.749276 -1.429543
H -4.735030 0.532278 -2.020801
H -5.028762 2.277364 -2.053984
H -5.832354 3.048924 0.200688
H -4.633873 2.742926 1.440056


