%chk=000241559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241559

0 1
S -0.238042 -1.884262 0.728469
O -2.155180 2.464663 -0.584500
N 1.200636 0.146220 -0.271718
N -1.175555 0.431783 -0.142738
C 2.481085 -0.593729 0.002551
C 3.218111 -0.869180 -1.323637
C 3.355179 0.213622 0.983970
C 4.526872 -1.618887 -1.039075
C 4.666708 -0.537528 1.248997
C 5.414360 -0.843001 -0.056167
C 1.298093 1.483183 -0.921094
C 0.255171 2.466274 -0.367770
C -0.019659 -0.363343 0.075984
C -1.139837 1.840713 -0.389904
C 0.566791 2.924205 1.054872
C -2.477272 -0.236136 -0.025029
C -2.971875 -0.953721 -1.123504
C -3.208065 -0.110760 1.164662
C -4.226551 -1.559469 -1.016821
C -4.461449 -0.723382 1.247967
C -4.970324 -1.444519 0.162655
H 2.228415 -1.584325 0.481530
H 3.436835 0.068251 -1.865400
H 2.573146 -1.471334 -1.993171
H 2.808375 0.369514 1.933906
H 3.572696 1.221679 0.583023
H 5.071249 -1.791438 -1.986640
H 4.302866 -2.624741 -0.631136
H 4.455320 -1.481326 1.790444
H 5.309244 0.060157 1.922713
H 6.329589 -1.424927 0.163055
H 5.757221 0.099955 -0.522973
H 1.156496 1.355173 -2.020835
H 2.323424 1.896044 -0.771805
H 0.225460 3.366704 -1.039232
H 1.516216 3.470993 1.099789
H -0.213560 3.597520 1.438320
H 0.642098 2.079008 1.753010
H -2.387149 -1.047571 -2.035873
H -2.804705 0.444178 2.008873
H -4.624389 -2.125429 -1.857943
H -5.041620 -0.639335 2.165849
H -5.946428 -1.919993 0.236925


%chk=000241559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241559

0 1
S -0.150278 -1.914212 0.963578
O -2.223044 2.470237 -0.457603
N 1.204285 0.182187 -0.184760
N -1.166188 0.406132 -0.085613
C 2.499708 -0.532973 0.019076
C 3.207838 -0.817620 -1.329195
C 3.425136 0.216674 1.008940
C 4.518989 -1.607854 -1.094667
C 4.736065 -0.578637 1.229271
C 5.455413 -0.868515 -0.109472
C 1.228297 1.463763 -0.927095
C 0.224735 2.458219 -0.322576
C 0.004611 -0.381524 0.194643
C -1.159332 1.813947 -0.310091
C 0.611280 2.937283 1.100774
C -2.475592 -0.243169 -0.012895
C -2.899943 -1.056483 -1.084196
C -3.313186 -0.013826 1.097558
C -4.173968 -1.662466 -1.034076
C -4.587676 -0.618430 1.141696
C -5.019462 -1.445534 0.078757
H 2.220464 -1.501443 0.476256
H 3.450864 0.133708 -1.846478
H 2.526593 -1.388323 -1.988561
H 2.893579 0.358605 1.968692
H 3.676526 1.225019 0.617941
H 5.030821 -1.775760 -2.061563
H 4.273538 -2.608317 -0.684201
H 4.497753 -1.538640 1.730763
H 5.402142 -0.017655 1.912340
H 6.367991 -1.468089 0.071190
H 5.785083 0.088829 -0.564404
H 0.990884 1.286545 -1.996711
H 2.248854 1.877280 -0.874629
H 0.145819 3.338779 -0.985079
H 1.569540 3.487189 1.071823
H -0.163466 3.615030 1.497892
H 0.722708 2.087315 1.796689
H -2.234336 -1.220583 -1.937949
H -2.968423 0.626847 1.915162
H -4.505231 -2.300649 -1.860542
H -5.241044 -0.445496 2.003704
H -6.008351 -1.915885 0.116209


