%chk=000270929.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270929

0 1
S 3.488265 1.184932 0.691516
O -3.368702 0.951804 1.186604
N -1.282924 0.566881 -0.579019
N -2.580548 0.140416 -0.834290
N 0.437504 2.022429 -0.167520
N -0.080644 -1.589796 -0.083254
N 2.257762 -1.199809 0.520543
C -0.191098 -0.227905 -0.188770
C 0.887976 0.707087 0.036832
C -0.850577 1.937325 -0.508655
C 2.131046 0.139685 0.401954
C -3.558796 0.240351 0.231927
C 1.159791 -2.003198 0.275968
C -4.812232 -0.517606 -0.073025
C 4.834373 0.068880 1.116208
H -1.527227 2.755856 -0.725759
H -2.594801 -0.706743 -1.430211
H 1.320438 -3.088283 0.387047
H -5.192562 -0.338301 -1.089370
H -5.613985 -0.217364 0.625276
H -4.677740 -1.602988 0.049803
H 5.058571 -0.634203 0.302161
H 4.604522 -0.531589 2.007574
H 5.726287 0.675540 1.317662


%chk=000270929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270929

0 1
S 3.555514 1.281078 0.696401
O -3.309512 0.731800 1.357670
N -1.276721 0.585338 -0.552767
N -2.569746 0.118497 -0.769690
N 0.417164 2.072467 -0.159432
N -0.076702 -1.545423 -0.104654
N 2.267842 -1.151163 0.498722
C -0.165612 -0.194267 -0.191773
C 0.879610 0.753084 0.029542
C -0.870709 1.934817 -0.497876
C 2.139591 0.203690 0.389041
C -3.528675 0.148487 0.267805
C 1.179481 -1.946859 0.252616
C -4.825913 -0.566686 -0.081009
C 4.859480 -0.009002 1.120795
H -1.567062 2.743935 -0.704170
H -2.707849 -0.453214 -1.606001
H 1.338111 -3.023962 0.353952
H -4.896168 -0.862060 -1.141734
H -5.676158 0.089060 0.167646
H -4.909824 -1.472237 0.545169
H 5.003037 -0.686827 0.268459
H 4.540496 -0.582378 2.001705
H 5.775023 0.565225 1.330786


