%chk=000202397.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202397

0 1
S 3.706162 0.552755 0.504834
O 0.296209 1.655425 0.765529
O -1.838873 -2.326634 -0.129094
N -1.037518 -0.216110 0.446990
C 1.286364 -0.447383 -0.145255
C 1.903724 0.188480 -1.410210
C 0.524889 -1.758414 -0.455618
C 2.384958 -0.641009 0.901191
C 0.194196 0.511181 0.410270
C 2.900938 1.251522 -0.975970
C -0.924350 -1.545800 -0.056537
C -2.322547 0.390909 0.879049
C -3.209287 0.677117 -0.303952
C -3.771997 1.863004 -0.518178
H 1.120713 0.618057 -2.065383
H 2.408493 -0.594264 -2.013661
H 0.942530 -2.630729 0.085252
H 0.584172 -2.040317 -1.525501
H 2.032680 -0.468801 1.934889
H 2.812993 -1.660025 0.872096
H 3.662171 1.471992 -1.742310
H 2.400974 2.204160 -0.706450
H -2.839690 -0.319478 1.569487
H -2.089566 1.315458 1.461735
H -3.372975 -0.177056 -0.965975
H -4.430196 2.061314 -1.353311
H -3.623768 2.727347 0.114883


%chk=000202397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202397

0 1
S 3.719739 0.818199 0.344663
O 0.225990 1.524555 1.011929
O -1.854113 -2.472085 -0.255956
N -1.080725 -0.352065 0.436060
C 1.265526 -0.504433 -0.063299
C 1.733096 0.146298 -1.408862
C 0.583852 -1.887781 -0.272785
C 2.509643 -0.551775 0.869751
C 0.135671 0.367661 0.536890
C 2.587467 1.376837 -1.072185
C -0.915121 -1.663085 -0.062674
C -2.395641 0.223512 0.800568
C -3.113599 0.804925 -0.405289
C -3.406958 2.120225 -0.545335
H 0.870962 0.413910 -2.049770
H 2.346506 -0.597457 -1.952165
H 0.923844 -2.636038 0.466468
H 0.763048 -2.314566 -1.273876
H 2.237758 -0.392007 1.925347
H 3.031772 -1.516812 0.762398
H 3.225543 1.688925 -1.913973
H 1.978189 2.220570 -0.714877
H -2.993098 -0.593020 1.246025
H -2.209038 1.002876 1.558912
H -3.407277 0.081719 -1.178813
H -3.942948 2.495963 -1.424109
H -3.118691 2.857648 0.213756


