%chk=000224600.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224600

0 1
S 0.338042 -1.220869 -0.775613
O -0.055655 -2.401503 -0.036110
O 0.642389 -1.348840 -2.185815
N 1.719153 -0.504120 -0.036462
N -0.875775 -0.027384 -0.542703
C 3.028023 -0.983575 -0.574504
C 1.676171 -0.437848 1.454746
C 4.165005 -0.079150 -0.070900
C 2.809663 0.461431 1.977220
C 4.175115 -0.009510 1.461319
C -0.598784 1.316788 -1.129068
C -2.283256 -0.498903 -0.711827
C -1.173096 2.407543 -0.207558
C -2.746331 -1.225151 0.561560
C -0.886678 3.806558 -0.767266
C -4.228031 -1.608998 0.465585
C -1.456626 4.898694 0.134752
C -4.695533 -2.343625 1.720173
H 3.231849 -2.039251 -0.285284
H 2.980870 -0.946403 -1.689843
H 0.692676 -0.009371 1.757600
H 1.751125 -1.450556 1.913380
H 5.132529 -0.457234 -0.449335
H 4.040808 0.939122 -0.490417
H 2.630015 1.506015 1.653017
H 2.794654 0.469088 3.082542
H 4.421525 -1.001389 1.886149
H 4.969570 0.678218 1.805723
H 0.502936 1.463587 -1.225786
H -1.019630 1.412126 -2.154925
H -2.944376 0.377871 -0.900084
H -2.392943 -1.161174 -1.599924
H -2.262681 2.263996 -0.074253
H -0.739131 2.301469 0.806277
H -2.126597 -2.135947 0.728744
H -2.569449 -0.584887 1.446535
H -1.314045 3.903199 -1.784863
H 0.205881 3.951423 -0.882693
H -4.847935 -0.704632 0.310570
H -4.394240 -2.250706 -0.422617
H -1.246235 5.895512 -0.269294
H -1.026889 4.855912 1.142202
H -2.544125 4.810416 0.239496
H -5.750775 -2.627554 1.644001
H -4.583238 -1.724503 2.617192
H -4.119045 -3.262483 1.884459


%chk=000224600-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224600

0 1
S 0.637494 -1.138966 -1.235244
O 0.209542 -2.683015 -0.916883
O 1.077218 -0.738307 -2.754173
N 2.008870 -0.480450 -0.128973
N -0.738452 -0.052611 -0.489803
C 3.349807 -0.742134 -0.737032
C 1.880561 -1.031428 1.251629
C 4.385096 0.037344 0.107057
C 2.892022 -0.270529 2.142413
C 4.329780 -0.403489 1.588401
C -0.627562 1.313920 -1.084254
C -2.068011 -0.725315 -0.630369
C -1.402279 2.343213 -0.232252
C -2.824329 -0.746414 0.717044
C -1.178059 3.784678 -0.746722
C -4.202526 -1.435368 0.587477
C -1.969550 4.829991 0.068324
C -4.970778 -1.476150 1.926172
H 3.601941 -1.826779 -0.731003
H 3.331984 -0.388499 -1.780862
H 0.846217 -0.858970 1.594015
H 2.089618 -2.123664 1.277926
H 5.391176 -0.136691 -0.319629
H 4.168505 1.119608 0.027621
H 2.600574 0.796491 2.177100
H 2.826094 -0.670853 3.172071
H 4.658988 -1.459802 1.669368
H 5.030843 0.200058 2.194636
H 0.443987 1.584641 -1.091855
H -0.994313 1.335481 -2.133882
H -2.671914 -0.223323 -1.416382
H -1.902383 -1.773586 -0.947642
H -2.486313 2.116243 -0.249883
H -1.069329 2.261212 0.820677
H -2.202691 -1.282890 1.459707
H -2.956758 0.284568 1.097324
H -1.472368 3.845946 -1.814098
H -0.096070 4.022783 -0.706795
H -4.811614 -0.904002 -0.172416
H -4.061528 -2.467695 0.208471
H -1.795375 5.852569 -0.313272
H -1.672667 4.811480 1.133773
H -3.056853 4.631945 0.019096
H -5.952170 -1.971850 1.812224
H -5.150348 -0.455381 2.313200
H -4.399178 -2.030607 2.693795


