%chk=000237928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237928

0 1
S -0.872631 -0.759160 -0.000762
O 6.139242 -0.642649 -1.081573
O 6.138820 -0.645362 1.081083
N -2.885534 0.989534 0.000430
N -5.262404 0.335057 0.000004
N 5.587706 -0.512736 -0.000187
N -4.615481 2.609983 0.002334
C 1.440920 0.487197 0.000249
C -0.005834 0.843106 0.000404
C 2.125872 0.320295 -1.217198
C 2.125684 0.318467 1.217545
C 4.151293 -0.168653 -0.000037
C 3.479755 -0.007604 -1.222629
C 3.479566 -0.009453 1.222691
C -2.577334 -0.329366 -0.000362
C -3.525497 -1.354204 -0.000956
C -4.886545 -0.972578 -0.000789
C -5.974184 -1.990234 -0.001630
C -4.247027 1.284519 0.000778
H -0.310866 1.445263 0.882500
H -0.310755 1.446491 -0.880890
H 1.595286 0.441296 -2.163168
H 1.594958 0.438052 2.163618
H 4.024430 -0.141185 -2.164118
H 4.024084 -0.144486 2.164064
H -3.242771 -2.401456 -0.001547
H -6.976945 -1.529168 0.000157
H -5.915144 -2.636273 -0.890581
H -5.913470 -2.639708 0.884681
H -3.918643 3.334967 0.001450
H -5.589752 2.865849 0.001239


%chk=000237928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237928

0 1
S -0.919051 -1.030689 -0.000696
O 6.314803 -0.387989 -1.140981
O 6.314800 -0.389482 1.140558
N -2.898086 0.880450 0.000469
N -5.301841 0.395970 0.000044
N 5.715728 -0.291422 -0.000149
N -4.497860 2.595128 0.001459
C 1.475745 0.402909 0.000311
C -0.011020 0.653525 0.000473
C 2.186878 0.282798 -1.223846
C 2.186873 0.281136 1.224306
C 4.250833 -0.055283 0.000005
C 3.576051 0.055018 -1.235445
C 3.576047 0.053345 1.235600
C -2.654357 -0.453590 -0.000402
C -3.685671 -1.423477 -0.001069
C -5.020598 -0.943563 -0.000837
C -6.198799 -1.891888 -0.001699
C -4.223927 1.248359 0.000680
H -0.355783 1.192649 0.895292
H -0.355772 1.193887 -0.893604
H 1.643697 0.367548 -2.171282
H 1.643688 0.364598 2.171855
H 4.140617 -0.037497 -2.166583
H 4.140610 -0.040425 2.166614
H -3.469433 -2.494150 -0.001742
H -7.137314 -1.317406 0.000425
H -6.180377 -2.545060 -0.893373
H -6.178600 -2.549053 0.886977
H -3.732508 3.263160 0.001885
H -5.468573 2.896298 0.001557


