%chk=000210343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210343

0 1
S 7.556781 -0.964700 0.657279
S 8.187428 0.255434 -0.873383
O -4.990623 -0.355786 -0.213905
O 7.054753 -0.222357 -2.016895
O 7.901002 1.612127 -0.557999
O 9.443384 -0.198557 -1.368434
N 3.606174 -0.001991 0.748248
C -6.322709 0.027719 0.214521
C -7.182206 -1.152235 -0.264221
C -6.718975 1.349760 -0.462530
C -8.671313 -0.852832 -0.063806
C -8.211854 1.633194 -0.260601
C -9.074667 0.460665 -0.749053
C -3.909995 0.352638 0.437654
C -2.659821 -0.390767 -0.036270
C -1.385722 0.254554 0.516523
C -0.133680 -0.496673 0.043379
C 1.143897 0.149367 0.592805
C 2.392935 -0.609852 0.116918
C 4.868781 -0.619377 0.233920
C 5.993477 -0.182447 1.170371
H -6.338345 0.120689 1.320457
H -6.962121 -1.350698 -1.332295
H -6.887223 -2.071657 0.274007
H -6.111905 2.182876 -0.068048
H -6.479535 1.286720 -1.542443
H -9.276254 -1.688094 -0.464262
H -8.902806 -0.799252 1.017391
H -8.416431 1.828992 0.809544
H -8.493168 2.557308 -0.799644
H -8.972082 0.354665 -1.846445
H -10.142838 0.673113 -0.559150
H -3.925711 1.404711 0.106768
H -4.041918 0.302072 1.531607
H -2.729063 -1.454374 0.267653
H -2.646025 -0.408556 -1.144881
H -1.330319 1.314466 0.200101
H -1.418116 0.269219 1.623648
H -0.189593 -1.555873 0.363072
H -0.104067 -0.516615 -1.063531
H 1.196632 1.210381 0.282141
H 1.120270 0.162344 1.701938
H 2.336989 -1.672454 0.444248
H 2.437306 -0.617945 -0.993711
H 3.621642 1.008763 0.566441
H 4.761847 -1.728496 0.250141
H 5.095502 -0.342676 -0.823505
H 6.098511 0.921639 1.217151
H 5.793135 -0.515511 2.213262
H 7.380941 -0.418543 -2.911074


%chk=000210343-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210343

0 1
S 7.562628 -1.040859 1.131101
S 8.671644 0.524633 -0.448320
O -5.161620 -0.502981 -0.383412
O 8.529454 -0.555144 -1.961377
O 7.668925 1.789470 -0.642623
O 10.245265 0.810481 -0.205568
N 3.612193 -0.075634 0.405982
C -6.463132 -0.039165 0.136726
C -7.488325 -1.117562 -0.252186
C -6.870613 1.346057 -0.416443
C -8.912715 -0.735210 0.219018
C -8.291534 1.734382 0.065168
C -9.330701 0.654349 -0.319636
C -4.005797 0.249256 0.119251
C -2.744689 -0.536759 -0.257821
C -1.446619 0.168668 0.195499
C -0.174953 -0.628264 -0.172500
C 1.125336 0.060601 0.297940
C 2.386464 -0.749031 -0.060858
C 4.889279 -0.779121 0.242321
C 5.942996 -0.109657 1.145154
H -6.399784 0.025722 1.250799
H -7.471550 -1.227933 -1.354653
H -7.175662 -2.087572 0.176541
H -6.142966 2.120343 -0.105483
H -6.848491 1.296762 -1.523824
H -9.634471 -1.508067 -0.107811
H -8.943520 -0.719633 1.328483
H -8.285049 1.856494 1.168627
H -8.576785 2.715379 -0.361047
H -9.414371 0.607131 -1.424970
H -10.330387 0.930514 0.068082
H -3.973344 1.267240 -0.327937
H -4.080245 0.364094 1.225848
H -2.808649 -1.545357 0.194309
H -2.735669 -0.680519 -1.355861
H -1.391638 1.178314 -0.262893
H -1.472618 0.325412 1.294239
H -0.238254 -1.640939 0.277010
H -0.141929 -0.776238 -1.271789
H 1.191058 1.069735 -0.161728
H 1.099477 0.211536 1.394709
H 2.340470 -1.744588 0.424184
H 2.405990 -0.934283 -1.163326
H 3.652348 0.923606 0.167970
H 4.743522 -1.831197 0.553594
H 5.268681 -0.801196 -0.805712
H 6.161885 0.920798 0.792878
H 5.605015 -0.046806 2.196200
H 9.215757 -0.232165 -2.618753


