%chk=000276466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276466

0 1
S 1.859750 -0.816153 -1.756986
O 1.713801 0.300812 -2.666271
O 1.779772 -2.166360 -2.280709
O -4.768646 -2.437904 1.539990
O -5.825136 -0.147685 0.043600
O 1.580402 2.465950 -1.678519
O -0.645366 2.248746 -1.925848
N 0.567184 -0.733300 -0.601982
C -0.419511 -1.852249 -0.571858
C 0.489280 0.231079 0.449161
C -1.844001 -1.382680 -0.390124
C 3.274085 -0.634387 -0.806830
C 0.424670 1.613395 0.167179
C 0.472965 -0.194181 1.795198
C -2.661674 -2.055166 0.529886
C 3.761268 0.636317 -0.476700
C 3.965738 -1.775611 -0.375840
C -2.360260 -0.317581 -1.142094
C -3.998619 -1.669626 0.675050
C 0.386863 2.544451 1.215099
C 5.610257 -0.374267 0.726934
C 4.920410 0.768343 0.286982
C 5.124127 -1.650858 0.387014
C -3.695431 0.067028 -1.003647
C 0.420628 0.741927 2.824816
C -4.522558 -0.614802 -0.104228
C 0.388412 2.113515 2.540654
C 0.328604 2.109016 -1.229674
C 6.858389 -0.236509 1.530918
C -5.391142 -1.683249 2.616007
C -6.834724 -1.100278 -0.391732
H -0.137754 -2.577447 0.227310
H -0.348650 -2.417496 -1.540339
H 0.497603 -1.257949 2.025674
H -2.284926 -2.876763 1.135897
H 3.230303 1.538806 -0.821678
H 3.598987 -2.772940 -0.647928
H -1.716661 0.229655 -1.840270
H 0.346025 3.611083 0.984407
H 5.290558 1.760957 0.538731
H 5.656640 -2.541444 0.715624
H -4.102492 0.894585 -1.585733
H 0.407663 0.403960 3.861939
H 0.354396 2.838692 3.351238
H 6.865478 0.673882 2.147023
H 7.740199 -0.182779 0.871833
H 7.019811 -1.084504 2.211171
H -6.046705 -2.430496 3.074434
H -4.616529 -1.349839 3.311422
H -5.959834 -0.833381 2.219781
H 1.630999 2.479599 -2.682897
H -7.765607 -0.594838 -0.115260
H -6.761822 -1.234294 -1.474437
H -6.717319 -2.053284 0.136012


%chk=000276466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276466

0 1
S 1.989284 -0.053332 -1.891276
O 2.406477 1.449271 -2.345045
O 1.690030 -1.253619 -2.945646
O -4.306425 -2.716397 1.824027
O -5.947609 -1.030420 0.075430
O 0.729700 4.139697 -2.123748
O -0.666204 2.344703 -2.563190
N 0.340918 0.147381 -0.859596
C -0.199242 -1.185564 -0.509853
C 0.418475 1.195703 0.096316
C -1.711549 -1.100549 -0.314112
C 3.312655 -0.659504 -0.687044
C 0.417128 2.556893 -0.355791
C 0.519492 0.933068 1.491845
C -2.336121 -1.895888 0.673899
C 4.038049 0.297803 0.041878
C 3.520425 -2.043815 -0.570227
C -2.501864 -0.257682 -1.135675
C -3.738521 -1.882381 0.829475
C 0.591230 3.600059 0.587874
C 5.270837 -1.560523 1.101385
C 5.020821 -0.171027 0.940832
C 4.509989 -2.484603 0.335992
C -3.904774 -0.255291 -0.992074
C 0.635538 1.985395 2.419873
C -4.535862 -1.077160 -0.033306
C 0.695561 3.324292 1.967216
C 0.112147 2.926787 -1.774731
C 6.355936 -2.045944 2.044680
C -5.047604 -1.993584 2.883869
C -6.626664 -2.308882 -0.240509
H 0.276771 -1.648170 0.383531
H 0.024372 -1.836813 -1.377811
H 0.505519 -0.101277 1.848617
H -1.752849 -2.536172 1.346069
H 3.855415 1.366784 -0.106936
H 2.949023 -2.745541 -1.186779
H -2.012095 0.391321 -1.869729
H 0.616735 4.630817 0.224215
H 5.604147 0.553374 1.520684
H 4.698314 -3.559019 0.443044
H -4.537043 0.374422 -1.626354
H 0.697821 1.761745 3.490610
H 0.807955 4.145876 2.682209
H 6.484053 -1.363157 2.902392
H 7.330845 -2.103573 1.522993
H 6.133943 -3.053523 2.436459
H -5.458547 -2.776231 3.539936
H -4.355863 -1.346540 3.456563
H -5.859401 -1.381130 2.452092
H 0.496904 4.345263 -3.068870
H -7.698832 -2.119740 -0.077965
H -6.448491 -2.581372 -1.298033
H -6.271050 -3.120728 0.419697


