%chk=000285989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285989

0 1
S 0.847690 4.163043 -0.903767
S 1.600173 -0.797996 0.592999
O -4.752375 1.179450 -0.234836
O 5.727363 -2.399080 0.913390
O 6.561370 -0.407389 0.324970
N -2.657888 1.157984 0.669723
N 0.271482 1.749987 -0.167882
N 3.764323 0.549420 0.098267
C -1.772033 3.159736 -0.555527
C -2.551242 2.630290 0.669719
C -0.322124 2.877693 -0.489411
C 1.687072 1.860760 -0.235356
C -3.775140 0.531630 0.104929
C 2.170037 3.085186 -0.616500
C -3.690742 -0.962201 0.030635
C 2.452763 0.681610 0.102628
C -4.740767 -1.719053 0.567718
C -2.608553 -1.594445 -0.595518
C 4.139048 -0.750163 0.489592
C 3.106472 -1.607646 0.792245
C -4.697499 -3.114076 0.491924
C -2.574434 -2.989494 -0.673128
C -3.615384 -3.748497 -0.126955
C 5.580988 -1.070711 0.539988
H -2.196018 2.702797 -1.485095
H -1.970473 4.249275 -0.660615
H -2.055425 2.950947 1.613058
H -3.580398 3.070792 0.662672
H -1.789017 0.647854 0.832064
H 3.206430 3.375067 -0.732121
H -5.589949 -1.215040 1.033436
H -1.800875 -1.005381 -1.031112
H 3.193889 -2.639117 1.110183
H -5.510661 -3.705604 0.910486
H -1.737783 -3.485241 -1.162984
H -3.585084 -4.835928 -0.187936
H 6.682962 -2.669660 0.964118


%chk=000285989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285989

0 1
S 0.870950 4.107661 -1.378798
S 1.501200 -0.675713 1.102412
O -4.880852 1.070350 0.407475
O 5.692473 -2.416298 1.014248
O 6.398676 -0.551814 -0.194202
N -2.563053 1.201504 0.544004
N 0.210490 1.896445 -0.054328
N 3.639977 0.446108 -0.065256
C -1.797613 3.379551 -0.431181
C -2.541479 2.654529 0.720700
C -0.341885 3.004834 -0.519496
C 1.592325 1.818891 -0.317178
C -3.742659 0.497490 0.369078
C 2.126929 2.897433 -1.012946
C -3.613418 -0.989686 0.139574
C 2.352777 0.665013 0.134955
C -4.793938 -1.766919 0.257265
C -2.394217 -1.631589 -0.204682
C 4.063653 -0.761128 0.503763
C 3.079262 -1.496521 1.161216
C -4.756832 -3.161678 0.053076
C -2.358404 -3.027817 -0.413485
C -3.537476 -3.797523 -0.280812
C 5.482013 -1.175213 0.379571
H -2.297492 3.135140 -1.389552
H -1.890646 4.473311 -0.292779
H -2.065191 2.911699 1.685971
H -3.592448 2.989651 0.748881
H -1.650256 0.740375 0.537415
H 3.162012 3.038009 -1.314887
H -5.725698 -1.247183 0.503214
H -1.468493 -1.058969 -0.339990
H 3.203532 -2.451468 1.665644
H -5.674284 -3.752377 0.150982
H -1.414511 -3.512488 -0.686460
H -3.507142 -4.880814 -0.443013
H 6.649916 -2.666000 0.915603


