%chk=000274308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274308

0 1
S 4.230410 -0.848223 -0.271380
O 0.177130 2.022724 0.322741
O -0.531423 -2.492943 -0.532952
N -0.247089 -0.204115 -0.097847
N 1.612472 -1.736493 -0.429458
C 2.064308 0.582458 0.040601
C 3.144055 1.602800 0.246418
C 2.481298 -0.686471 -0.223428
C 4.515361 0.931012 0.091474
C 0.655729 0.932345 0.116269
C 0.185939 -1.530527 -0.363529
C -1.691396 0.020104 -0.031947
C -2.252351 1.082505 -0.757738
C -2.490107 -0.821624 0.758135
C -3.630301 1.299656 -0.682329
C -3.866469 -0.590722 0.814586
C -4.437729 0.466604 0.098805
H 3.024074 2.434944 -0.480823
H 3.039834 2.067343 1.251139
H 5.100355 1.371027 -0.736000
H 5.121564 1.011347 1.011583
H 1.943167 -2.684834 -0.633037
H -1.621157 1.744168 -1.351333
H -2.049775 -1.656061 1.303683
H -4.074768 2.125517 -1.236987
H -4.495891 -1.241283 1.421044
H -5.510838 0.641141 0.150009


%chk=000274308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274308

0 1
S 4.294146 -0.911471 -0.153528
O 0.176061 2.042566 0.496601
O -0.556508 -2.501397 -0.672295
N -0.235347 -0.220391 -0.094438
N 1.610072 -1.699326 -0.433809
C 2.066761 0.597481 0.141176
C 3.168939 1.568870 0.507113
C 2.495101 -0.674332 -0.165923
C 4.486699 1.004116 -0.081299
C 0.650692 0.908079 0.203227
C 0.200547 -1.530391 -0.412210
C -1.674794 0.012404 -0.050305
C -2.245204 0.998767 -0.884167
C -2.481292 -0.741746 0.830012
C -3.636550 1.231131 -0.833646
C -3.872842 -0.509195 0.869437
C -4.453653 0.477783 0.040254
H 2.968291 2.578382 0.107546
H 3.238626 1.664494 1.608556
H 4.653230 1.330977 -1.119375
H 5.372186 1.215774 0.535392
H 1.920175 -2.635978 -0.699924
H -1.606579 1.585789 -1.550027
H -2.028137 -1.509689 1.463766
H -4.079935 1.999319 -1.476233
H -4.500591 -1.097991 1.546842
H -5.533692 0.658372 0.074957


