%chk=000261422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261422

0 1
S 2.588451 1.924321 -0.468759
O 0.470626 -0.202829 2.256853
O 4.011944 1.560491 -0.696667
N -0.023679 1.966783 -0.334187
C 0.969976 0.148597 0.939066
C -0.258057 0.806138 0.282156
C 2.159287 1.082065 1.123228
C 1.357081 -1.128718 0.199670
C -1.561671 0.189343 0.311003
C -2.621124 0.864143 -0.356621
C 1.449869 -1.137777 -1.198775
C 1.637411 -2.298032 0.919972
C -1.839108 -1.048364 0.969757
C -2.346037 2.104826 -1.011815
C -1.068327 2.612221 -0.979146
C -3.930562 0.289486 -0.359577
C 1.830578 -2.304817 -1.867746
C 2.015037 -3.463684 0.248055
C 2.615442 3.639320 0.137634
C -3.104986 -1.579454 0.952695
C -4.162774 -0.903258 0.279220
C 2.114712 -3.468578 -1.146767
H 3.055334 0.524402 1.455698
H 1.938714 1.826131 1.906094
H 1.232624 -0.236984 -1.774501
H 1.552503 -2.303726 2.005960
H 1.199150 -0.264250 2.906411
H -1.022963 -1.555089 1.497464
H -3.150107 2.627872 -1.525106
H -0.793813 3.555697 -1.461555
H -4.731915 0.815709 -0.875214
H 1.910703 -2.302962 -2.953987
H 2.234106 -4.368161 0.812819
H 3.326039 3.796173 0.951902
H 1.618169 3.938475 0.470634
H 2.917571 4.302764 -0.678816
H -3.319656 -2.522238 1.453814
H -5.156878 -1.350584 0.282747
H 2.414730 -4.374955 -1.669612


%chk=000261422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261422

0 1
S 2.880784 1.727593 -0.505093
O 0.434177 -0.190582 2.409855
O 4.482058 1.283022 -0.294326
N -0.141043 2.034335 -0.172585
C 0.867436 0.152157 1.018541
C -0.362671 0.821690 0.375335
C 2.036238 1.145611 1.171242
C 1.307043 -1.114695 0.249615
C -1.656221 0.173166 0.339381
C -2.738611 0.878257 -0.319547
C 1.280167 -1.140417 -1.167432
C 1.790542 -2.249113 0.945052
C -1.921419 -1.116497 0.908247
C -2.467287 2.164204 -0.890308
C -1.183746 2.693925 -0.798116
C -4.037628 0.277942 -0.387384
C 1.737351 -2.274100 -1.873077
C 2.248553 -3.384033 0.239843
C 2.880693 3.607160 -0.079489
C -3.196737 -1.678932 0.822512
C -4.262831 -0.980337 0.172543
C 2.225934 -3.400171 -1.173046
H 2.898450 0.675545 1.679131
H 1.690755 2.056986 1.680024
H 0.902057 -0.275726 -1.723311
H 1.791171 -2.262251 2.040400
H 1.243691 -0.272376 2.977771
H -1.119227 -1.644261 1.426629
H -3.264182 2.720615 -1.395354
H -0.936479 3.671207 -1.225313
H -4.848338 0.821818 -0.886049
H 1.714618 -2.276151 -2.968411
H 2.621660 -4.253238 0.793037
H 3.456072 3.716428 0.852148
H 1.836472 3.933082 0.018690
H 3.398988 4.100461 -0.914652
H -3.387510 -2.664634 1.260382
H -5.256550 -1.438472 0.118037
H 2.583971 -4.278719 -1.720923


