%chk=000276422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276422

0 1
S 0.808575 -1.289963 -1.124844
S -0.782477 0.638965 0.698446
O 1.454218 1.611771 1.512950
O 2.988975 1.078512 -1.638879
O 4.188861 3.258107 0.586191
C 1.847789 0.626604 0.529387
C 3.065667 1.231893 -0.221450
C 2.970036 2.762537 0.024449
C 0.653403 0.354937 -0.378911
C 1.903329 2.934852 1.116244
C 0.501450 -2.484752 0.212650
C -2.173997 0.065775 -0.331313
C -0.797854 -3.248354 -0.074072
C -3.464821 0.457660 0.398612
C -0.650632 -4.177985 -1.282256
C -1.208390 -4.044250 1.172950
C -3.728167 1.964748 0.305541
C -4.643584 -0.329083 -0.196689
H 2.124381 -0.248847 1.158650
H 4.027310 0.814135 0.141989
H 2.744542 3.306177 -0.917833
H 0.623330 1.061833 -1.248896
H 1.015082 3.488562 0.773918
H 2.314439 3.377234 2.043260
H 1.370036 -3.167742 0.258370
H 0.446010 -1.969639 1.192122
H -2.125466 0.511123 -1.339138
H -2.107286 -1.039560 -0.462669
H 3.002996 0.123797 -1.887001
H -1.615570 -2.501071 -0.294621
H -3.378478 0.178713 1.481178
H 4.884034 3.313482 -0.103211
H 0.140944 -4.920186 -1.133859
H -1.578769 -4.727502 -1.474620
H -0.410920 -3.620677 -2.196090
H -0.446175 -4.776440 1.459849
H -2.138316 -4.597168 0.999845
H -1.377001 -3.386201 2.032994
H -2.905209 2.545111 0.741461
H -4.641502 2.241820 0.842477
H -3.844120 2.295452 -0.731897
H -5.583409 -0.063975 0.300307
H -4.772304 -0.121309 -1.264395
H -4.507161 -1.409296 -0.082392


%chk=000276422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276422

0 1
S 0.453562 -1.067548 -1.074315
S -0.945002 1.083059 0.832740
O 1.854094 1.828708 1.607195
O 3.125911 0.521825 -1.614755
O 4.535893 3.094658 -0.368540
C 1.847268 0.734018 0.613616
C 3.117329 1.020123 -0.244535
C 3.174336 2.566631 -0.301452
C 0.549493 0.660028 -0.231119
C 2.529191 3.022547 1.019977
C 0.159960 -2.189247 0.436159
C -2.304124 0.952611 -0.499581
C -0.888227 -3.279889 0.130361
C -3.557313 0.226618 0.032786
C -0.431458 -4.226412 -1.003600
C -1.187438 -4.072759 1.427880
C -4.196445 0.968962 1.229168
C -4.578954 0.053151 -1.119446
H 1.940916 -0.189467 1.210943
H 4.004202 0.656433 0.314337
H 2.589372 2.891406 -1.186643
H 0.575864 1.341793 -1.097924
H 1.779790 3.821274 0.881331
H 3.305584 3.353875 1.729919
H 1.125873 -2.637073 0.728681
H -0.201025 -1.510995 1.232140
H -2.546946 1.979246 -0.827317
H -1.858850 0.388294 -1.338496
H 2.699890 -0.380339 -1.640402
H -1.819245 -2.768848 -0.190114
H -3.239487 -0.780615 0.373341
H 4.939020 2.804087 -1.225961
H 0.504933 -4.747463 -0.724956
H -1.199758 -4.995217 -1.204776
H -0.249377 -3.674451 -1.944127
H -0.278701 -4.588013 1.794000
H -1.957843 -4.843285 1.241291
H -1.553937 -3.410624 2.233910
H -3.486175 1.070406 2.070318
H -5.085001 0.424705 1.598328
H -4.519569 1.984902 0.930438
H -5.473181 -0.492649 -0.766042
H -4.914512 1.037048 -1.499992
H -4.146111 -0.511715 -1.965962


