%chk=000284736.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284736

0 1
S -0.000499 -0.422179 2.938180
S 5.159311 4.504015 -0.362169
S -5.169960 4.502297 -0.349425
O -0.000387 0.636492 3.929230
O -0.000230 -1.820432 3.341346
O 4.626734 0.467777 -0.605884
O -4.629664 0.467724 -0.603334
N 3.459025 2.593599 0.661481
N -3.466041 2.592552 0.669426
C 1.369020 -0.183740 1.888841
C -1.370544 -0.183857 1.889516
C 1.874692 1.102048 1.693891
C -1.878722 1.101449 1.697891
C 1.969849 -1.290111 1.281557
C -1.969266 -1.289836 1.279457
C 2.983466 1.294607 0.853128
C -2.987914 1.294008 0.857687
C 3.580874 0.157284 0.227190
C -3.583144 0.157132 0.228863
C 3.074110 -1.128336 0.443719
C -3.073880 -1.128055 0.442084
C 5.481432 -0.560646 -1.065055
C -5.482222 -0.561231 -1.065295
C 6.156166 -1.400811 -0.175928
C -6.155407 -1.405003 -0.178412
C 5.685846 -0.576469 -2.447859
C -5.686389 -0.573942 -2.448164
C 7.083076 -2.299852 -0.711691
C -7.080441 -2.304523 -0.716605
C 6.622627 -1.481896 -2.953982
C -6.621285 -1.479947 -2.956737
C 7.313706 -2.341964 -2.091947
C -7.310777 -2.343581 -2.097001
C 4.269045 3.327166 0.154978
C -4.277421 3.325852 0.164719
H 1.429590 1.968244 2.203056
H -1.435234 1.967185 2.209294
H 1.580159 -2.299291 1.470235
H -1.577681 -2.298736 1.465553
H 3.532202 -1.992210 -0.038761
H -3.530334 -1.991575 -0.042575
H 5.978630 -1.343266 0.896009
H -5.978139 -1.349831 0.893694
H 5.140147 0.108302 -3.094934
H -5.141959 0.113561 -3.093411
H 7.632235 -2.967531 -0.046750
H -7.628369 -2.974987 -0.053453
H 6.813243 -1.516477 -4.027294
H -6.811668 -1.512176 -4.030164
H 8.039840 -3.045538 -2.497770
H -8.035447 -3.047565 -2.504727


%chk=000284736-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284736

0 1
S -0.000688 -0.375835 2.815750
S 5.432955 4.772441 0.003099
S -5.436783 4.767490 -0.004611
O -0.001091 0.873605 3.872983
O -0.000430 -1.950372 3.264572
O 4.902316 0.455126 -0.655730
O -4.902968 0.452632 -0.657353
N 3.807533 2.551374 0.678719
N -3.808487 2.549849 0.675848
C 1.510797 -0.141298 1.700271
C -1.511960 -0.142049 1.699826
C 2.064146 1.140462 1.605659
C -2.065324 1.139627 1.604180
C 2.054352 -1.274128 1.074527
C -2.055346 -1.275343 1.074778
C 3.224962 1.314883 0.810770
C -3.225963 1.313444 0.808908
C 3.793300 0.175059 0.146757
C -3.794154 0.173121 0.145616
C 3.209819 -1.104631 0.282997
C -3.210661 -1.106454 0.282895
C 5.798317 -0.579852 -1.067990
C -5.799096 -0.582512 -1.068931
C 6.382333 -1.464562 -0.134947
C -6.383730 -1.466170 -0.135272
C 6.156261 -0.593383 -2.430386
C -6.156578 -0.597192 -2.431436
C 7.337175 -2.398832 -0.594465
C -7.338696 -2.400573 -0.594265
C 7.116736 -1.530830 -2.873155
C -7.117172 -1.534762 -2.873680
C 7.704479 -2.437501 -1.960433
C -7.705514 -2.440410 -1.960328
C 4.524314 3.477484 0.367947
C -4.525318 3.475634 0.364174
H 1.637701 1.984922 2.155647
H -1.639051 1.984516 2.153639
H 1.603816 -2.260207 1.224121
H -1.604762 -2.261278 1.225180
H 3.656261 -1.961278 -0.229139
H -3.656953 -1.963480 -0.228733
H 6.112739 -1.413846 0.924856
H -6.114531 -1.414536 0.924585
H 5.693456 0.123735 -3.114478
H -5.693318 0.119157 -3.116026
H 7.801138 -3.087731 0.119419
H -7.803133 -3.088658 0.120097
H 7.404572 -1.549771 -3.929567
H -7.404637 -1.554596 -3.930176
H 8.448378 -3.161894 -2.307766
H -8.449510 -3.164898 -2.307253


