%chk=000249325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249325

0 1
S 2.477177 0.475915 0.159758
S -3.771129 0.095872 -0.166531
O 3.014621 0.244464 -1.164418
O 2.854593 1.650520 0.916979
O -4.358885 1.107375 0.682521
O -4.169957 -0.060024 -1.547264
N 2.862440 -0.851396 1.184046
N -4.093550 -1.410865 0.593993
C 0.736290 0.383170 0.064533
C -2.036882 0.214781 -0.081824
C 0.138286 -0.213797 -1.046803
C -0.042245 0.913604 1.093735
C -1.257626 -0.298471 -1.120863
C -1.439232 0.828484 1.020181
C 3.316249 -2.118120 0.554132
C 4.718964 -2.040873 -0.043722
H 0.753859 -0.601907 -1.867008
H 0.428395 1.406015 1.951746
H 3.419391 -0.622840 2.020598
H -1.730715 -0.753651 -1.998414
H -2.053844 1.255466 1.820952
H 3.273303 -2.913544 1.334904
H 2.582546 -2.411283 -0.231307
H 4.760192 -1.319660 -0.878733
H 5.471840 -1.734396 0.689625
H 5.032477 -3.009941 -0.448109
H -4.575280 -1.405617 1.490806
H -4.460777 -2.170181 0.023986


%chk=000249325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249325

0 1
S 2.425126 0.125620 -0.086031
S -4.075491 0.265201 -0.099841
O 2.910824 -0.080039 -1.627566
O 2.912083 1.384690 0.832526
O -4.525421 1.614842 0.690697
O -4.561707 -0.113794 -1.605945
N 2.780034 -1.509264 0.798687
N -4.531438 -1.159063 0.966112
C 0.534192 0.139941 -0.078313
C -2.186938 0.205097 -0.082753
C -0.136612 -0.587412 -1.074943
C -0.103958 0.920993 0.897928
C -1.548961 -0.553987 -1.077511
C -1.517402 0.955537 0.895953
C 3.934963 -2.237001 0.191420
C 5.328772 -1.663218 0.510757
H 0.423141 -1.141056 -1.834659
H 0.485777 1.502353 1.613833
H 2.976129 -1.211539 1.777045
H -2.134206 -1.077727 -1.839631
H -2.077881 1.565164 1.611415
H 3.834136 -3.277460 0.557831
H 3.765488 -2.258388 -0.900163
H 5.438513 -0.645005 0.097186
H 5.508423 -1.617839 1.601258
H 6.115690 -2.297110 0.063223
H -5.018613 -0.798635 1.803111
H -5.104161 -1.811803 0.405873


