%chk=000184404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184404

0 1
S 1.522915 0.349702 1.752436
O 1.942504 1.367548 2.672312
O 1.939184 -1.013142 1.904721
O -0.034046 3.863538 -1.062350
O -0.493700 2.858417 0.908939
O -0.541862 -1.104736 0.151001
N 2.682610 0.315171 -0.782574
N -0.213358 0.382440 1.860475
N 2.646023 0.915643 -2.001372
N 4.349812 -0.563865 0.644748
N -2.400703 -0.438472 1.429951
N -4.669025 -1.026710 1.231430
N -3.282372 -0.827912 -0.779975
C 1.796058 0.891988 0.112786
C 1.165159 1.934985 -0.591724
C 3.643864 -0.739466 -0.511585
C 1.722664 1.912163 -1.911718
C 0.145079 2.872369 -0.122316
C 3.802101 -1.822708 -1.385835
C -1.021483 -0.445508 1.043219
C 4.738778 -2.799972 -1.019206
C -3.468878 -0.790659 0.580764
C 5.238363 -1.528253 0.977137
C 5.460046 -2.660932 0.166637
C -5.736489 -1.349904 0.447559
C -4.367082 -1.165840 -1.539032
C -5.616207 -1.436576 -0.952578
C -7.030159 -1.610056 1.139440
C -4.160557 -1.224115 -3.012949
C -1.031240 4.874496 -0.745875
H 1.472053 2.568701 -2.734919
H -0.654485 1.183195 2.355429
H 3.217142 -1.902586 -2.303217
H -2.652440 -0.243541 2.408963
H 4.892685 -3.668381 -1.662758
H 5.780143 -1.378334 1.921082
H 6.181911 -3.416667 0.472786
H -6.468768 -1.705966 -1.565093
H -7.817221 -0.927509 0.787181
H -6.950256 -1.480699 2.232726
H -7.376411 -2.639112 0.960758
H -3.118211 -0.986066 -3.292559
H -4.811340 -0.511215 -3.538911
H -4.376415 -2.228947 -3.405487
H -0.912028 5.586039 -1.569941
H -2.023330 4.412319 -0.739843
H -0.806825 5.328533 0.225335


%chk=000184404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184404

0 1
S 1.434849 0.078250 1.817064
O 1.929699 1.106621 2.956499
O 1.729287 -1.502463 1.877603
O 0.033639 3.828558 -1.104394
O -0.373935 2.862254 0.965565
O -0.632014 -1.121478 -0.118828
N 2.817321 0.276209 -0.746946
N -0.394398 0.247366 1.811013
N 2.839825 0.931767 -1.992517
N 4.257419 -0.705216 0.821764
N -2.493936 -0.489226 1.231433
N -4.765761 -0.940828 1.208901
N -3.503930 -0.936521 -0.888730
C 1.873613 0.815098 0.097295
C 1.269011 1.898862 -0.582361
C 3.820926 -0.707589 -0.459070
C 1.904679 1.906033 -1.868957
C 0.248562 2.855243 -0.133178
C 4.306652 -1.552800 -1.478022
C -1.136367 -0.516236 0.854614
C 5.308275 -2.478027 -1.114480
C -3.622385 -0.813892 0.460231
C 5.207689 -1.618035 1.160922
C 5.764521 -2.519340 0.224741
C -5.907586 -1.253340 0.523580
C -4.650485 -1.262840 -1.566491
C -5.879921 -1.437257 -0.883140
C -7.178032 -1.397445 1.328681
C -4.532660 -1.417520 -3.064959
C -0.975846 4.861288 -0.766162
H 1.707631 2.587738 -2.692212
H -0.636129 1.251455 1.943297
H 3.907584 -1.484293 -2.492096
H -2.704155 -0.299912 2.215517
H 5.718293 -3.162393 -1.863668
H 5.526411 -1.608650 2.207747
H 6.534190 -3.230259 0.538853
H -6.790562 -1.698679 -1.429566
H -7.963594 -0.712686 0.959753
H -6.976990 -1.174794 2.387539
H -7.578238 -2.425568 1.252964
H -3.495251 -1.221094 -3.374652
H -5.207515 -0.719201 -3.593723
H -4.809045 -2.441291 -3.378516
H -0.968476 5.546899 -1.624357
H -1.966486 4.394474 -0.636816
H -0.692177 5.380156 0.164265


