%chk=000185213.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185213

0 1
S 3.824357 -0.449100 0.078901
O 1.532228 0.836460 0.381396
N 1.509342 -1.368995 1.054434
C -1.093920 -0.803428 -0.849569
C -0.804759 -1.896985 0.202600
C 0.052818 -1.380623 1.367312
C -2.065998 0.218449 -0.291375
C -1.616868 -1.424057 -2.150046
C -1.581112 1.468365 0.125223
C -3.434325 -0.063939 -0.167303
C 2.228418 -2.661894 1.079373
C 2.081930 -0.237095 0.519897
C -2.455184 2.423591 0.648574
C -4.306428 0.894857 0.356156
C -3.820221 2.140599 0.764018
C 4.262409 1.236368 -0.483093
C 4.811693 1.143347 -1.886961
H -0.126683 -0.282082 -1.086580
H -0.309848 -2.757990 -0.285935
H -1.759970 -2.289914 0.603075
H -0.103342 -2.008251 2.271628
H -0.254077 -0.340533 1.644691
H -1.913928 -0.643084 -2.861444
H -2.492021 -2.060784 -1.984058
H -0.848958 -2.034867 -2.636246
H -0.511086 1.691091 0.047421
H -3.821797 -1.030128 -0.482000
H 2.522689 -2.991386 0.066397
H 1.595229 -3.451168 1.516517
H 3.138740 -2.586197 1.704579
H -2.070614 3.390753 0.967665
H -5.367222 0.670127 0.445745
H -4.499790 2.886002 1.169529
H 3.361061 1.889420 -0.433006
H 5.001871 1.647269 0.229688
H 5.697383 0.497250 -1.951282
H 4.070011 0.747880 -2.595839
H 5.109372 2.135069 -2.257082


%chk=000185213-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185213

0 1
S 4.039481 -0.626381 0.121467
O 1.754085 0.818441 0.700189
N 1.581428 -1.501644 0.991102
C -1.058169 -0.939555 -0.827579
C -0.826444 -1.944087 0.345986
C 0.158735 -1.433923 1.425233
C -1.968897 0.214583 -0.387418
C -1.597983 -1.683364 -2.074471
C -1.418480 1.476278 -0.041436
C -3.375352 0.041476 -0.282691
C 2.217065 -2.830281 0.901376
C 2.249850 -0.342859 0.660845
C -2.250836 2.536839 0.386235
C -4.208785 1.099331 0.142893
C -3.649296 2.354809 0.478404
C 4.455474 1.177471 -0.289523
C 4.059273 1.559379 -1.721048
H -0.073253 -0.508369 -1.094985
H -0.454419 -2.906214 -0.061393
H -1.798036 -2.162615 0.832111
H 0.060852 -2.040091 2.346822
H -0.062305 -0.384388 1.681311
H -1.808884 -0.978056 -2.897905
H -2.532644 -2.231926 -1.852858
H -0.858094 -2.422823 -2.433983
H -0.332565 1.618549 -0.089356
H -3.828045 -0.923146 -0.543525
H 2.366653 -3.149882 -0.146829
H 1.568575 -3.565892 1.404256
H 3.198582 -2.832457 1.408606
H -1.804459 3.502894 0.649070
H -5.292374 0.946707 0.211180
H -4.294906 3.177413 0.806755
H 3.913205 1.785848 0.452508
H 5.541545 1.254804 -0.113665
H 4.553318 0.911893 -2.466439
H 2.966873 1.477932 -1.851697
H 4.350630 2.607706 -1.926550


