%chk=000266883.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266883

0 1
S 0.623739 1.991620 -0.505668
O 0.327171 2.764901 0.680839
O 0.093554 2.435743 -1.782824
O -1.172721 -0.973604 -3.181383
O -0.648126 -2.364724 -1.479728
N -0.016643 0.384659 -0.307825
C -1.236152 0.036217 -1.071521
C -2.483724 -0.112639 -0.225216
C 0.218274 -0.284136 0.955940
C 2.313191 1.711348 -0.612278
C -0.968612 -1.263242 -1.855450
C -2.722870 -1.271549 0.526478
C -3.404181 0.945332 -0.189963
C -0.065399 0.353828 2.176787
C 0.785098 -1.569858 0.942486
C 2.909431 1.499652 -1.860906
C 3.099345 1.698624 0.547530
C 5.073709 1.256538 -0.792407
C 4.282711 1.273597 -1.953980
C 4.471428 1.472736 0.461147
C -3.879318 -1.372818 1.304006
C -4.558854 0.839072 0.589964
C 0.236478 -0.293377 3.376077
C 1.076029 -2.205418 2.151492
C -4.798484 -0.319312 1.336438
C 0.807287 -1.570506 3.368052
C -1.050439 -2.053456 -4.160571
C 6.542775 1.013268 -0.875410
C -2.291290 -2.920787 -4.125032
H -1.407808 0.851207 -1.854923
H -2.000664 -2.093581 0.505951
H -3.221436 1.854087 -0.764726
H -0.516138 1.352663 2.192336
H 0.977784 -2.074782 -0.007890
H 2.298082 1.518929 -2.771120
H 2.636314 1.872276 1.526289
H 4.739372 1.111099 -2.928489
H 5.078175 1.462975 1.364892
H -4.061228 -2.273964 1.887340
H -5.270934 1.662315 0.617183
H 0.018265 0.200253 4.322371
H 1.512379 -3.203338 2.142108
H -5.698463 -0.399464 1.943373
H 1.036535 -2.070667 4.306380
H -0.127809 -2.619924 -3.944487
H -0.949279 -1.473171 -5.096093
H 7.112999 1.857298 -0.457817
H 6.898145 0.865323 -1.904174
H 6.832693 0.117778 -0.304347
H -3.205801 -2.316925 -4.195320
H -2.352276 -3.489486 -3.184917
H -2.302010 -3.642510 -4.949595


%chk=000266883-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266883

0 1
S 0.593827 1.859649 -0.283466
O 0.337631 2.563814 1.167857
O -0.075225 2.488423 -1.638256
O -1.194974 -1.291170 -3.192818
O -0.977475 -2.665701 -1.320745
N 0.097070 -0.066484 -0.317792
C -1.206919 -0.194172 -1.062384
C -2.505340 -0.063540 -0.262436
C 0.288814 -0.665414 0.979225
C 2.450730 1.730787 -0.524311
C -1.110522 -1.526508 -1.823273
C -3.099768 -1.159497 0.414668
C -3.119719 1.214118 -0.188828
C -0.426433 -0.280207 2.147622
C 1.296604 -1.662778 1.064919
C 2.949370 1.600738 -1.829036
C 3.266150 1.800307 0.616661
C 5.224096 1.587472 -0.870395
C 4.351630 1.532389 -1.989377
C 4.662511 1.725065 0.427781
C -4.289076 -0.975605 1.154523
C -4.305439 1.395993 0.555858
C -0.143725 -0.912606 3.377065
C 1.560054 -2.300967 2.294420
C -4.894766 0.300145 1.229236
C 0.840522 -1.925720 3.454079
C -1.175876 -2.498719 -4.081037
C 6.729185 1.507648 -1.049986
C -2.584877 -3.078739 -4.228698
H -1.175872 0.608100 -1.823316
H -2.628638 -2.146869 0.365290
H -2.660384 2.063632 -0.709196
H -1.174253 0.514699 2.097490
H 1.836991 -1.933966 0.152993
H 2.269705 1.576060 -2.686587
H 2.820166 1.927797 1.608033
H 4.771205 1.438004 -2.997241
H 5.324249 1.777817 1.300144
H -4.740940 -1.827751 1.674823
H -4.768520 2.387594 0.607921
H -0.690888 -0.610185 4.276651
H 2.323731 -3.084498 2.349138
H -5.817074 0.439403 1.804661
H 1.049842 -2.415605 4.411863
H -0.476755 -3.237403 -3.651059
H -0.784156 -2.108448 -5.033716
H 7.233711 2.375817 -0.587338
H 7.011743 1.480464 -2.115773
H 7.139762 0.599984 -0.568996
H -3.288518 -2.312671 -4.596935
H -2.952752 -3.467338 -3.264377
H -2.570113 -3.913260 -4.954147


