%chk=000285627.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285627

0 1
S -1.169900 -0.168103 0.737639
O 0.032801 -0.302483 1.556699
O -2.456825 -0.163580 1.409881
O 3.704981 -2.040497 2.457826
O 0.658628 -1.777662 -1.908953
N 1.000021 -2.585994 0.217740
C -1.149879 -1.553574 -0.365150
C -1.059151 1.220335 -0.268910
C 2.445440 -2.845295 -0.010161
C 3.315207 -1.592181 0.178655
C 0.249523 -1.954162 -0.771484
C -2.027059 2.226779 -0.143867
C -0.015000 1.378779 -1.188008
C 3.202471 -0.997111 1.581434
C -0.908524 3.536049 -1.851861
C -1.956685 3.376737 -0.927440
C 0.062202 2.526554 -1.975933
C -0.821577 4.771842 -2.681423
C 3.487670 -1.761531 3.851678
H -1.689495 -2.420004 0.079499
H -1.740231 -1.362210 -1.290297
H 2.583945 -3.251304 -1.038347
H 2.759741 -3.630914 0.717847
H 4.372709 -1.867043 -0.018162
H 3.048271 -0.823003 -0.572308
H 0.753473 -2.427281 1.204832
H -2.849261 2.107506 0.574327
H 0.747720 0.600153 -1.308972
H 2.158820 -0.741742 1.858140
H 3.840899 -0.105592 1.701605
H -2.713053 4.152524 -0.821825
H 0.876706 2.637022 -2.690472
H -0.273857 4.614722 -3.621442
H -1.811261 5.167446 -2.951085
H -0.295635 5.570994 -2.134486
H 3.890761 -2.654287 4.343767
H 4.041808 -0.868577 4.154732
H 2.418994 -1.649709 4.062086


%chk=000285627-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285627

0 1
S -1.257587 -0.314700 1.037292
O 0.075938 -0.481530 1.998519
O -2.752999 -0.216763 1.692163
O 3.315488 -1.873309 2.252500
O 0.140106 -2.562121 -2.008428
N 1.086020 -2.414122 0.135692
C -1.286157 -1.859019 -0.185844
C -1.018004 1.211394 -0.048681
C 2.430029 -2.900829 -0.218057
C 3.509282 -1.789533 -0.169328
C 0.065518 -2.286613 -0.768399
C -2.163187 1.965826 -0.349577
C 0.271662 1.553859 -0.483357
C 3.432491 -0.951305 1.117171
C -0.716522 3.506967 -1.623391
C -1.997424 3.119802 -1.145883
C 0.409211 2.710891 -1.281486
C -0.551104 4.765971 -2.453869
C 2.972919 -1.176298 3.497549
H -1.740662 -2.627377 0.463512
H -1.975151 -1.550056 -0.984473
H 2.374024 -3.339493 -1.228181
H 2.703083 -3.689826 0.503352
H 4.499860 -2.276066 -0.245238
H 3.403982 -1.112526 -1.039333
H 0.936371 -2.070305 1.098297
H -3.139827 1.665621 0.044949
H 1.140532 0.950395 -0.201930
H 2.541971 -0.284546 1.098914
H 4.338900 -0.316240 1.226751
H -2.873829 3.727903 -1.397428
H 1.403483 2.998825 -1.641198
H 0.342112 4.713629 -3.099542
H -1.429957 4.945777 -3.097015
H -0.435463 5.653006 -1.801452
H 2.910267 -1.952569 4.276409
H 3.755250 -0.439107 3.776866
H 1.994773 -0.662009 3.399954


