%chk=000297977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297977

0 1
S -1.956978 -1.135897 0.264188
O -5.353204 0.344055 -0.805071
O -4.709106 -1.650706 -0.249834
N 2.804815 0.489704 1.030815
N 1.561322 0.645250 0.554993
N -4.507453 -0.460690 -0.448917
C 5.031934 -0.579748 -0.574647
C 4.420697 0.793832 -0.879484
C 4.005150 -1.509808 0.085816
C 3.786620 1.417120 0.373614
C 3.396251 -0.853940 1.333798
C 0.623345 -0.272752 0.660157
C -0.722553 0.098293 0.286240
C -1.249302 1.317917 -0.083145
C -3.162606 0.000117 -0.241195
C -2.641167 1.267632 -0.384711
H 5.408799 -1.038990 -1.508751
H 5.914448 -0.463144 0.083997
H 5.193097 1.475456 -1.283207
H 3.655185 0.697646 -1.675859
H 3.205414 -1.762565 -0.638311
H 4.480486 -2.470181 0.361356
H 4.560286 1.650046 1.138343
H 3.278731 2.375347 0.120741
H 2.631440 -1.512093 1.797184
H 4.177041 -0.691498 2.110986
H 0.773156 -1.302136 1.012705
H -0.665229 2.230223 -0.139206
H -3.221315 2.133510 -0.692494


%chk=000297977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297977

0 1
S -2.288414 -1.111759 0.662402
O -5.720588 0.793493 -0.100109
O -5.246579 -1.287679 0.768965
N 2.696757 0.116059 0.047271
N 1.381872 0.450561 -0.017157
N -4.889424 -0.132669 0.280029
C 5.580483 -0.331729 0.084495
C 4.971219 0.870671 -0.670967
C 4.591977 -1.517950 0.056226
C 3.620089 1.272068 -0.049712
C 3.214590 -1.139334 0.646667
C 0.412733 -0.396988 0.336041
C -0.958288 0.021422 0.170268
C -1.475636 1.231707 -0.334744
C -3.492542 0.132123 0.153806
C -2.894548 1.292996 -0.342522
H 6.543088 -0.628260 -0.370276
H 5.793777 -0.043287 1.134519
H 5.649873 1.743125 -0.637437
H 4.824347 0.604807 -1.735675
H 4.453369 -1.851614 -0.990141
H 4.990308 -2.378488 0.625561
H 3.791287 1.689280 0.968258
H 3.101140 2.040460 -0.644446
H 2.499856 -1.955218 0.440707
H 3.283446 -1.023031 1.751987
H 0.589405 -1.401637 0.750785
H -0.819654 2.031380 -0.681870
H -3.484640 2.141493 -0.692829


