%chk=000232057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232057

0 1
S 3.022237 0.585962 0.122442
O 3.162942 2.016979 0.326660
O 3.761964 -0.340364 0.963510
O -3.707544 1.442246 0.108240
N -2.776572 -0.667844 -0.030402
N 3.602899 0.274316 -1.473809
C 1.360186 0.189669 0.067102
C 0.904838 -1.136641 -0.049035
C -1.394120 -0.334726 0.004839
C -0.472529 -1.397520 -0.080246
C 0.426903 1.237991 0.151435
C -0.938098 0.994754 0.121123
C 1.861672 -2.273423 -0.146641
C -3.869136 0.245800 0.027984
C -5.210035 -0.427650 -0.021895
H -0.816588 -2.423881 -0.170141
H 0.785512 2.273886 0.247915
H -1.650847 1.824152 0.188641
H 2.386499 -2.273093 -1.116225
H 2.651374 -2.221028 0.633669
H 1.385755 -3.255852 -0.039846
H -2.990684 -1.666675 -0.102774
H 3.699837 1.065414 -2.106267
H 4.426059 -0.317255 -1.564540
H -5.368321 -0.990986 -0.951645
H -6.010662 0.332103 0.027501
H -5.373340 -1.111034 0.822806


%chk=000232057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232057

0 1
S 3.143549 0.605968 0.147502
O 3.240842 2.215880 0.382863
O 3.958466 -0.422887 1.110730
O -3.820592 1.476610 0.218263
N -2.811996 -0.631265 -0.022809
N 3.730603 0.174524 -1.557652
C 1.311475 0.172281 0.052496
C 0.891850 -1.170992 -0.114333
C -1.431506 -0.300133 0.007602
C -0.506051 -1.372251 -0.131812
C 0.430087 1.255971 0.195518
C -0.959063 1.029584 0.172849
C 1.847917 -2.334179 -0.275039
C -3.918651 0.223918 0.081340
C -5.271809 -0.479539 0.022086
H -0.879103 -2.396953 -0.259386
H 0.833567 2.264759 0.332292
H -1.670326 1.849192 0.279616
H 2.506462 -2.170524 -1.147564
H 2.506928 -2.428588 0.605702
H 1.297702 -3.278762 -0.416158
H -3.022800 -1.625531 -0.133336
H 3.626926 1.006023 -2.165081
H 4.717882 -0.122544 -1.462703
H -5.208524 -1.567771 -0.151319
H -5.875128 -0.024728 -0.781725
H -5.808507 -0.302764 0.970460


