%chk=000201352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201352

0 1
S 0.036783 -2.585767 0.051366
O -1.479937 2.197692 1.791638
O 0.981790 -1.576635 -0.382074
O -0.925693 -3.126900 -0.890306
N -0.877207 -1.942946 1.366540
N -4.494372 -0.436515 -2.095347
C 2.885705 1.647123 0.796714
C 1.418476 2.015259 0.541864
C 3.398435 0.673531 -0.272837
C 0.839560 2.865330 1.677192
C 4.849820 0.256438 -0.006365
C -0.601202 3.301932 1.416416
C 5.354749 -0.720701 -1.077703
C -2.180541 1.594931 0.751221
C -1.990438 0.204262 0.580639
C 6.792631 -1.162031 -0.812164
C -0.960015 -0.467873 1.454701
C -2.745417 -0.452221 -0.387135
C -3.102979 2.314666 -0.014175
C -3.675956 0.265788 -1.173390
C -3.851947 1.651853 -0.985267
C 0.901074 -3.905096 0.796082
H 2.992195 1.190203 1.799214
H 3.510182 2.560015 0.810914
H 1.323393 2.542774 -0.425438
H 0.816446 1.079272 0.431034
H 2.740586 -0.225716 -0.308552
H 3.312612 1.132957 -1.275334
H 1.468344 3.762656 1.839771
H 0.873694 2.293992 2.628308
H 4.930539 -0.209924 0.993738
H 5.502099 1.149694 0.023785
H -0.917492 4.106571 2.105464
H -0.772785 3.611609 0.374450
H 4.690049 -1.605888 -1.119201
H 5.285985 -0.248924 -2.077435
H 7.479860 -0.308462 -0.803399
H 7.142106 -1.856841 -1.583504
H 6.887102 -1.667760 0.154965
H 0.050221 -0.012348 1.215164
H -1.156805 -0.197007 2.523712
H -2.623472 -1.522937 -0.567979
H -3.238490 3.380678 0.156057
H -1.801293 -2.369775 1.533463
H -4.576178 2.201315 -1.580260
H 0.518202 -4.892965 0.498294
H 1.972198 -3.906744 0.537482
H 0.873007 -3.887378 1.896894
H -4.128969 -1.325559 -2.414627
H -4.862256 0.109869 -2.861091


%chk=000201352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201352

0 1
S -0.046796 -2.866778 0.269204
O -1.493965 2.074815 1.974535
O 1.135719 -1.771941 0.014447
O -0.897699 -3.524616 -0.963449
N -1.229094 -2.144192 1.570297
N -3.692095 -0.289667 -2.673762
C 2.815600 1.743476 0.852053
C 1.361475 2.243057 0.694611
C 3.270059 0.852090 -0.326584
C 0.823686 2.972396 1.946214
C 4.719907 0.338786 -0.182304
C -0.674980 3.311828 1.878292
C 5.153139 -0.583600 -1.344834
C -2.049756 1.538827 0.783456
C -1.924379 0.134706 0.597152
C 6.596016 -1.112403 -1.193998
C -1.167081 -0.664623 1.654817
C -2.482878 -0.458079 -0.553143
C -2.759603 2.316376 -0.156779
C -3.169474 0.321184 -1.529108
C -3.313581 1.718532 -1.307289
C 0.693727 -4.294861 1.278211
H 2.898585 1.161975 1.794883
H 3.503056 2.609487 0.958567
H 1.292007 2.915767 -0.185551
H 0.716092 1.374392 0.464300
H 2.580754 -0.013077 -0.407191
H 3.175319 1.420521 -1.275859
H 1.387046 3.917069 2.103809
H 0.993839 2.348757 2.846586
H 4.818098 -0.214933 0.775537
H 5.418574 1.200174 -0.117169
H -0.979518 3.930925 2.741081
H -0.913331 3.855320 0.943122
H 4.446196 -1.435291 -1.409017
H 5.058813 -0.030446 -2.301798
H 7.323098 -0.278704 -1.158957
H 6.877990 -1.771171 -2.036479
H 6.708738 -1.693005 -0.258421
H -0.097115 -0.379091 1.648544
H -1.537630 -0.404882 2.664734
H -2.356464 -1.531502 -0.745042
H -2.893533 3.390811 0.010878
H -2.165387 -2.488588 1.275543
H -3.856279 2.334800 -2.034150
H -0.138956 -4.962220 1.536704
H 1.428137 -4.775112 0.616714
H 1.152651 -3.835094 2.162417
H -3.503394 -1.269549 -2.864674
H -4.140933 0.262851 -3.397651


