%chk=000279215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279215

0 1
S 0.073817 0.809863 -1.797095
O -3.792254 -1.681601 0.385735
O -3.346661 0.406304 1.070279
N -4.728932 1.213920 -1.476024
C 0.876919 0.268241 -0.211436
C 0.134851 -0.941164 0.320282
C 2.257304 -0.115184 -0.725930
C 0.899504 1.451106 0.733005
C -1.671525 1.193765 -1.481382
C -2.567056 0.093814 -2.031480
C -0.147039 -1.088241 1.686770
C 2.885355 -1.288066 -0.276181
C -0.294506 1.927968 1.304696
C -0.219924 -1.980799 -0.559363
C 2.929180 0.705201 -1.649682
C 2.102058 2.091410 1.072306
C -3.928865 -0.013433 -1.308302
C -0.805212 -2.228890 2.158633
C 4.143762 -1.650450 -0.763340
C -0.289923 3.027018 2.163832
C -0.874333 -3.118921 -0.085533
C 4.184001 0.333306 -2.140696
C 2.106260 3.193303 1.933754
C -1.173927 -3.245870 1.275553
C 4.793593 -0.845949 -1.703519
C 0.912104 3.668612 2.479617
C -3.650646 -0.340619 0.167802
H -1.841101 1.370738 -0.393165
H -1.872753 2.163021 -1.982531
H -2.068617 -0.899051 -1.980218
H -2.762706 0.269633 -3.112564
H 0.152499 -0.319390 2.401779
H 2.397776 -1.928007 0.460728
H -1.252059 1.433104 1.084576
H 0.033938 -1.912089 -1.620332
H 2.495596 1.650863 -1.985802
H 3.054432 1.737203 0.675689
H -4.508685 -0.870002 -1.758659
H -1.016330 -2.324735 3.222763
H 4.617406 -2.564136 -0.407831
H -1.227015 3.381294 2.591463
H -1.147946 -3.913906 -0.778019
H 4.688130 0.969760 -2.866526
H 3.049149 3.679666 2.179413
H -1.674757 -4.139142 1.642718
H 5.769461 -1.133499 -2.089250
H 0.916311 4.527235 3.147343
H -5.626641 1.143445 -1.005187
H -4.249203 2.033189 -1.111982
H -3.505290 -1.964535 1.300094


%chk=000279215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279215

0 1
S 0.038393 0.804132 -2.017245
O -3.789168 -1.638809 0.233713
O -3.508562 0.448695 1.220996
N -4.694798 1.642908 -1.198985
C 0.865820 0.197900 -0.303697
C 0.133514 -1.062325 0.211928
C 2.314429 -0.193929 -0.708802
C 0.836055 1.407726 0.652145
C -1.737073 1.264892 -1.544693
C -2.785189 0.231160 -2.013523
C -0.016652 -1.325651 1.599345
C 3.007997 -1.179408 0.043064
C -0.304090 1.699372 1.455703
C -0.263275 -2.075591 -0.701404
C 3.010379 0.444035 -1.770333
C 1.931524 2.311705 0.712123
C -4.115969 0.296444 -1.192329
C -0.586244 -2.538148 2.055550
C 4.344981 -1.519100 -0.257962
C -0.347955 2.853130 2.268532
C -0.820557 -3.290127 -0.252014
C 4.344089 0.096350 -2.080444
C 1.889922 3.460963 1.529003
C -0.996546 -3.527159 1.132883
C 5.021579 -0.885963 -1.324730
C 0.746778 3.744014 2.310825
C -3.798643 -0.244329 0.216414
H -1.749155 1.412353 -0.453048
H -1.908009 2.248595 -2.011745
H -2.378276 -0.790701 -1.932408
H -3.041636 0.410414 -3.072585
H 0.323622 -0.589998 2.333687
H 2.501766 -1.693946 0.865247
H -1.166938 1.026883 1.473704
H -0.125541 -1.896484 -1.773285
H 2.508246 1.216301 -2.361845
H 2.829372 2.115088 0.120290
H -4.826024 -0.404041 -1.665429
H -0.687941 -2.712585 3.132880
H 4.854316 -2.283678 0.339587
H -1.243410 3.046314 2.869836
H -1.119694 -4.051144 -0.981096
H 4.851860 0.598993 -2.911415
H 2.753654 4.135181 1.554887
H -1.423223 -4.473465 1.484767
H 6.056506 -1.155214 -1.563625
H 0.713328 4.637300 2.944540
H -5.681623 1.671801 -0.924579
H -4.142440 2.325871 -0.668904
H -3.389999 -1.981421 1.081276


