%chk=000285326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285326

0 1
S -1.398619 1.488894 0.000949
O 2.855298 1.649206 0.003396
O 0.836408 2.451055 0.003162
N -2.456356 -0.931210 -0.000606
N 1.633726 1.515323 0.002830
N 3.160402 -1.058423 0.002317
C -0.331948 0.121836 0.001022
C -1.046758 -1.084693 0.000031
C 1.071067 0.190365 0.001839
C 1.790855 -1.039316 0.001573
C -0.325620 -2.306843 -0.000224
C 1.052365 -2.275983 0.000506
C -2.800339 0.330374 -0.000093
C -4.159803 0.887152 -0.000407
H -0.877330 -3.250801 -0.000994
H 1.610934 -3.210880 0.000327
H -4.350006 1.509750 0.889483
H -4.348604 1.512362 -0.888750
H -4.925348 0.089037 -0.002168
H 3.677027 -1.920296 0.002182
H 3.695250 -0.187410 0.003223


%chk=000285326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285326

0 1
S -1.477890 1.604582 0.002112
O 3.097346 1.516311 0.003846
O 1.084946 2.589063 0.002564
N -2.459593 -0.910196 -0.000396
N 1.786024 1.496962 0.003285
N 3.179804 -1.089675 0.002040
C -0.335218 0.213543 0.001409
C -1.055914 -1.017327 0.000366
C 1.087059 0.224583 0.002055
C 1.808181 -1.027699 0.001616
C -0.345571 -2.247808 -0.000008
C 1.048529 -2.248109 0.000639
C -2.857111 0.346807 -0.000065
C -4.280383 0.813740 -0.000768
H -0.913201 -3.182696 -0.000839
H 1.597947 -3.196196 0.000313
H -4.506054 1.426957 0.891189
H -4.504252 1.429899 -0.891141
H -4.947508 -0.062999 -0.002856
H 3.651532 -1.992007 0.001763
H 3.703930 -0.208237 0.002474


