%chk=000210344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210344

0 1
S 7.439971 0.599407 -0.966987
S 8.031228 -0.671688 0.537626
O -3.870967 0.509927 0.025369
O 7.046374 -0.051605 1.748158
O 7.566387 -1.988200 0.268253
O 9.363614 -0.364036 0.936011
N 3.406481 0.117682 -0.769644
C -6.189088 0.132928 -0.051330
C -7.564283 0.827188 -0.074185
C -6.237077 -1.147866 0.802985
C -8.649271 -0.133609 -0.581380
C -7.321770 -2.105938 0.294606
C -8.695002 -1.420172 0.255361
C -5.115171 1.101312 0.474642
C -2.695797 1.247519 0.440133
C -1.544030 0.446534 -0.169558
C -0.187686 1.059648 0.191063
C 0.962077 0.258776 -0.432381
C 2.323502 0.866346 -0.058066
C 4.767609 0.577041 -0.350039
C 5.763195 0.002768 -1.355859
H -5.904733 -0.152011 -1.096522
H -7.826131 1.182465 0.940172
H -7.529180 1.724237 -0.719157
H -5.244548 -1.638868 0.774894
H -6.425848 -0.894491 1.862314
H -9.634645 0.367422 -0.557126
H -8.458484 -0.385449 -1.642528
H -7.055655 -2.470415 -0.716280
H -7.364950 -3.001889 0.940931
H -9.023985 -1.184606 1.285407
H -9.451236 -2.112254 -0.158460
H -5.108273 1.178211 1.573823
H -5.208987 2.107979 0.033238
H -2.752133 2.275056 0.042899
H -2.655934 1.273886 1.542224
H -1.675504 0.396147 -1.269500
H -1.608222 -0.605155 0.175834
H -0.070423 1.095830 1.291828
H -0.144803 2.110941 -0.155971
H 0.908504 -0.797987 -0.106827
H 0.857539 0.236565 -1.537042
H 2.369624 1.927023 -0.393042
H 2.450765 0.872082 1.046151
H 3.312559 -0.888104 -0.583630
H 4.795568 1.690861 -0.371937
H 5.031824 0.278051 0.692530
H 5.734526 -1.106361 -1.391735
H 5.528960 0.348699 -2.387559
H 7.454510 0.107172 2.615592


%chk=000210344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210344

0 1
S 7.565210 0.798712 -0.968980
S 8.326032 -0.962895 0.612528
O -3.982303 0.429274 -0.230459
O 8.355675 0.107693 2.136780
O 7.096910 -2.017067 0.759804
O 9.822967 -1.540810 0.405208
N 3.487340 0.300152 -0.520551
C -6.399695 0.120089 -0.173444
C -7.762804 0.783652 0.154934
C -6.285891 -1.263074 0.515021
C -8.949480 -0.136998 -0.219502
C -7.468525 -2.185488 0.137820
C -8.827918 -1.520884 0.462756
C -5.239052 1.045028 0.217611
C -2.801836 1.208393 0.151199
C -1.564378 0.448587 -0.337888
C -0.244325 1.161525 0.032834
C 1.000573 0.386046 -0.452464
C 2.321409 1.073296 -0.055565
C 4.823067 0.852293 -0.267069
C 5.842522 0.095083 -1.137896
H -6.342784 -0.035860 -1.271912
H -7.805605 1.005944 1.242893
H -7.852851 1.753544 -0.374912
H -5.320812 -1.728049 0.244310
H -6.276299 -1.112706 1.616606
H -9.906355 0.346039 0.059138
H -8.968107 -0.275663 -1.320458
H -7.423647 -2.410298 -0.948275
H -7.379446 -3.154015 0.667521
H -8.917241 -1.394010 1.562046
H -9.662870 -2.176448 0.146836
H -5.215059 1.189889 1.323622
H -5.357197 2.046079 -0.258083
H -2.848149 2.223925 -0.306594
H -2.770992 1.336756 1.258334
H -1.635342 0.324156 -1.435622
H -1.581911 -0.568033 0.100592
H -0.190882 1.292404 1.133939
H -0.235852 2.181214 -0.405484
H 0.977711 -0.639078 -0.025478
H 0.971795 0.272695 -1.553347
H 2.373708 2.080852 -0.514763
H 2.338991 1.227558 1.051915
H 3.413867 -0.708184 -0.332857
H 4.812128 1.923913 -0.543988
H 5.143668 0.795489 0.799329
H 5.899079 -0.969530 -0.826302
H 5.575251 0.124342 -2.210430
H 8.970704 -0.336532 2.794047


