%chk=000234106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234106

0 1
S 0.009497 1.648875 -0.012955
O 0.041001 2.347862 -1.294068
O 0.013235 2.409285 1.233719
N 3.031359 -0.676079 -1.204841
N -4.697031 -1.942480 0.037186
N 4.594279 -2.011226 -0.069627
C -1.367237 0.611292 -0.000026
C 1.367155 0.583368 0.021692
C -1.983177 0.274666 1.212362
C -1.901290 0.132672 -1.203578
C 1.923626 0.173609 1.240812
C 1.967112 0.151958 -1.173433
C -3.099197 -0.552359 1.240783
C -3.015961 -0.696508 -1.209985
C -3.620455 -1.052724 0.021490
C 3.020772 -0.676963 1.256779
C 3.551227 -1.104428 0.008519
H -1.587619 0.679255 2.152265
H -1.442743 0.425263 -2.155899
H 1.497348 0.534636 2.184767
H 1.593294 0.491164 -2.155498
H -3.564252 -0.811858 2.186506
H -3.416536 -1.067557 -2.148174
H 3.459962 -1.006754 2.191028
H -5.252382 -2.026608 0.872249
H -5.193394 -2.127653 -0.818570
H 5.010004 -2.210754 -0.969029
H 5.153904 -2.210356 0.740128


%chk=000234106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234106

0 1
S 0.017457 1.638483 0.007419
O 0.047219 2.409326 -1.440054
O 0.029423 2.422922 1.451362
N 3.139192 -0.815083 -1.173116
N -4.977023 -1.815570 -0.024732
N 4.856856 -1.920393 -0.050463
C -1.504079 0.537034 0.000563
C 1.511849 0.491898 0.042414
C -2.088439 0.184878 1.229553
C -2.055665 0.162222 -1.237154
C 2.138337 0.234716 1.278470
C 2.037664 -0.017274 -1.156780
C -3.251334 -0.605686 1.219969
C -3.218140 -0.628591 -1.244068
C -3.828845 -1.030712 -0.016223
C 3.279975 -0.580528 1.277872
C 3.748914 -1.101222 0.027981
H -1.653882 0.547290 2.167235
H -1.597582 0.509336 -2.169518
H 1.746611 0.687563 2.195494
H 1.587334 0.227394 -2.124462
H -3.724606 -0.890090 2.167013
H -3.665603 -0.930591 -2.198122
H 3.808451 -0.806928 2.209352
H -5.427916 -2.090811 0.842974
H -5.403351 -2.107222 -0.899491
H 5.149574 -2.239572 -0.971689
H 5.390110 -2.183194 0.772800


